N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide

C19H15ClN2OS — CID 4284947

IUPACN-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide
SMILESCC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C19H15ClN2OS/c1-13(17-11-12-18(20)24-17)21-22-19(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)
InChIKeyVVOAOKBPPWHKLJ-UHFFFAOYSA-N
MW354.86 g/mol
LogP5.22
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide

N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide (PubChem CID 4284947) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide
PubChem CID4284947
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide
SMILESCC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C19H15ClN2OS/c1-13(17-11-12-18(20)24-17)21-22-19(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)
InChIKeyVVOAOKBPPWHKLJ-UHFFFAOYSA-N
XLogP5.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.22
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'}

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Related Compounds

N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5407788
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5404510
2-(4-tert-butylphenyl)-N-[1-(5-chlorothiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
CID 4205609
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
CID 6176137
5-chloro-N-(1-pyridin-3-ylethylideneamino)thiophene-2-carboxamide
CID 24819783
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide
CID 6306205
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
CID 2834282
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzamide
CID 6341793

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide (CID 4284947) is N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide is CC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide?
The InChIKey is VVOAOKBPPWHKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c1-13(17-11-12-18(20)24-17)21-22-19(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide?
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide has a molecular weight of 354.86 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 4284947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).