N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide

C25H18BrClN2O3 — CID 5130558

IUPACN-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1)c1ccco1
InChIInChI=1S/C25H18BrClN2O3/c26-21-13-16(11-17-5-1-2-8-22(17)27)12-18(24(21)30)15-28-19-6-3-7-20(14-19)29-25(31)23-9-4-10-32-23/h1-10,12-15,30H,11H2,(H,29,31)/b28-15+
InChIKeyRXNFITIFWMFEAW-RWPZCVJISA-N
MW509.79 g/mol
LogP6.99
Rot. Bonds6

About N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide

N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide (PubChem CID 5130558) has the molecular formula C25H18BrClN2O3 and a molecular weight of 509.79 g/mol. Its IUPAC name is N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide
PubChem CID5130558
Molecular FormulaC25H18BrClN2O3
Molecular Weight509.79 g/mol
Exact Mass508.02
IUPAC NameN-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1)c1ccco1
InChIInChI=1S/C25H18BrClN2O3/c26-21-13-16(11-17-5-1-2-8-22(17)27)12-18(24(21)30)15-28-19-6-3-7-20(14-19)29-25(31)23-9-4-10-32-23/h1-10,12-15,30H,11H2,(H,29,31)/b28-15+
InChIKeyRXNFITIFWMFEAW-RWPZCVJISA-N
XLogP6.99
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.79
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide
CID 135901021
N-[4-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]propanamide
CID 4160765
N-[4-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 4063917
2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide
CID 143730123
2-[[3-(furan-2-carbonylamino)phenyl]iminomethyl]-4-nitrophenolate
CID 6964779
2-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]iminomethyl]-6-bromo-4-[(2-chlorophenyl)methyl]phenol
CID 135573868
N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 71906453
N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
CID 5090166
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[3-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55822141
N-[3-[[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 46401295
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide (CID 5130558) is N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide is O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1)c1ccco1.
What is the InChIKey of N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide?
The InChIKey is RXNFITIFWMFEAW-RWPZCVJISA-N. The full InChI is InChI=1S/C25H18BrClN2O3/c26-21-13-16(11-17-5-1-2-8-22(17)27)12-18(24(21)30)15-28-19-6-3-7-20(14-19)29-25(31)23-9-4-10-32-23/h1-10,12-15,30H,11H2,(H,29,31)/b28-15+.
What are the key properties of N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide?
N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide has a molecular weight of 509.79 g/mol, XLogP of 6.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 5130558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).