N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide

C33H28Br2ClN3O5 — CID 126407440

IUPACN-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Br)cc1Br
InChIInChI=1S/C33H28Br2ClN3O5/c1-20-4-5-21(2)39(20)25-8-10-26(11-9-25)42-19-27-12-13-30(44-27)33(40)38-37-17-22-14-29(36)32(31(15-22)41-3)43-18-23-6-7-24(34)16-28(23)35/h4-17H,18-19H2,1-3H3,(H,38,40)/b37-17+
InChIKeyXVNFGWXAXOYTMO-YSYOEVFLSA-N
MW741.86 g/mol
LogP8.80
Rot. Bonds11

About N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide

N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide (PubChem CID 126407440) has the molecular formula C33H28Br2ClN3O5 and a molecular weight of 741.86 g/mol. Its IUPAC name is N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
PubChem CID126407440
Molecular FormulaC33H28Br2ClN3O5
Molecular Weight741.86 g/mol
Exact Mass739.01
IUPAC NameN-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Br)cc1Br
InChIInChI=1S/C33H28Br2ClN3O5/c1-20-4-5-21(2)39(20)25-8-10-26(11-9-25)42-19-27-12-13-30(44-27)33(40)38-37-17-22-14-29(36)32(31(15-22)41-3)43-18-23-6-7-24(34)16-28(23)35/h4-17H,18-19H2,1-3H3,(H,38,40)/b37-17+
InChIKeyXVNFGWXAXOYTMO-YSYOEVFLSA-N
XLogP8.80
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.86
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[3,5-dichloro-4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126405374
N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126410908
N-[(E)-[4-[(2,4-dibromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126407866
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126405830
N-[(E)-[4-[(2,4-dibromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126405183
N-[(E)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126404546
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126405629
N-[(E)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126406494
N-[(E)-[4-[(2,4-dibromophenyl)methoxy]-3-ethoxy-5-nitrophenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126406574
N-[[2-[(4-bromophenyl)methoxy]-5-chloro-3-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126411675
N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126408692
N-[(E)-[3,5-dimethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126405266

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide?
The IUPAC name of N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide (CID 126407440) is N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide is COc1cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Br)cc1Br.
What is the InChIKey of N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide?
The InChIKey is XVNFGWXAXOYTMO-YSYOEVFLSA-N. The full InChI is InChI=1S/C33H28Br2ClN3O5/c1-20-4-5-21(2)39(20)25-8-10-26(11-9-25)42-19-27-12-13-30(44-27)33(40)38-37-17-22-14-29(36)32(31(15-22)41-3)43-18-23-6-7-24(34)16-28(23)35/h4-17H,18-19H2,1-3H3,(H,38,40)/b37-17+.
What are the key properties of N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide?
N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide has a molecular weight of 741.86 g/mol, XLogP of 8.80, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-chloro-4-[(2,4-dibromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide is sourced from PubChem (CID 126407440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).