3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide

C19H14ClN3O3 — CID 1034838

IUPAC3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H14ClN3O3/c20-15-8-6-13(7-9-15)18(24)22-16-4-1-3-14(11-16)19(25)23-21-12-17-5-2-10-26-17/h1-12H,(H,22,24)(H,23,25)
InChIKeyNMMYCZGZEXOOII-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.95
Rot. Bonds5

About 3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide

3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide (PubChem CID 1034838) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
PubChem CID1034838
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H14ClN3O3/c20-15-8-6-13(7-9-15)18(24)22-16-4-1-3-14(11-16)19(25)23-21-12-17-5-2-10-26-17/h1-12H,(H,22,24)(H,23,25)
InChIKeyNMMYCZGZEXOOII-UHFFFAOYSA-N
XLogP3.95
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 5435136
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
2-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 6088620
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
[2-[[[3-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126231194
3-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6895117
4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
CID 75087446
3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 171135949
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide (CID 1034838) is 3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide is O=C(NN=Cc1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide?
The InChIKey is NMMYCZGZEXOOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c20-15-8-6-13(7-9-15)18(24)22-16-4-1-3-14(11-16)19(25)23-21-12-17-5-2-10-26-17/h1-12H,(H,22,24)(H,23,25).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide?
3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide has a molecular weight of 367.79 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 1034838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).