N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

C17H13BrN2O2 — CID 9464455

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C17H13BrN2O2/c1-11-14-4-2-3-5-15(14)22-16(11)17(21)20-19-10-12-6-8-13(18)9-7-12/h2-10H,1H3,(H,20,21)/b19-10-
InChIKeyQQHNTSQDNWIOSL-GRSHGNNSSA-N
MW357.21 g/mol
LogP4.27
Rot. Bonds3

About N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9464455) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9464455
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C17H13BrN2O2/c1-11-14-4-2-3-5-15(14)22-16(11)17(21)20-19-10-12-6-8-13(18)9-7-12/h2-10H,1H3,(H,20,21)/b19-10-
InChIKeyQQHNTSQDNWIOSL-GRSHGNNSSA-N
XLogP4.27
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-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-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464323
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464583
3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide
CID 9464616
N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464476
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464746
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464567
N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide
CID 70129332
N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
CID 1377406
N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464743
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464359

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (CID 9464455) is N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N/N=C\c2ccc(Br)cc2)oc2ccccc12.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QQHNTSQDNWIOSL-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-11-14-4-2-3-5-15(14)22-16(11)17(21)20-19-10-12-6-8-13(18)9-7-12/h2-10H,1H3,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9464455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).