2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide

C16H13ClN2O2 — CID 717611

IUPAC2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-12-8-5-11(6-9-12)7-10-15(20)19-14-4-2-1-3-13(14)16(18)21/h1-10H,(H2,18,21)(H,19,20)/b10-7+
InChIKeyXHTORGVPWWMSLE-JXMROGBWSA-N
MW300.75 g/mol
LogP3.09
Rot. Bonds4

About 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide

2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide (PubChem CID 717611) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
PubChem CID717611
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-12-8-5-11(6-9-12)7-10-15(20)19-14-4-2-1-3-13(14)16(18)21/h1-10H,(H2,18,21)(H,19,20)/b10-7+
InChIKeyXHTORGVPWWMSLE-JXMROGBWSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-4'-chloro-2'-(o-fluorobenzoyl)acetanilide
CID 74106
Benzamide, 5-chloro-2-(methylamino)-
CID 97387
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
5-Chloro-2-(chloroacetamido)benzophenone
CID 77635
2-Amino-N-phenylbenzamide
CID 78142
Benzamide, N-(4-chlorophenyl)-
CID 96646
2-(Acetylamino)benzamide
CID 118553
N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
N-(4'-chloro-(1,1'-biphenyl)-2-yl)-2-hydroxypyridine-3-carboxamide
CID 132933455
N-(4-Amino-2-chloro-5-methylphenyl)benzamide
CID 67133
3,4-dichloro-N-phenylbenzamide
CID 504156

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide (CID 717611) is 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is XHTORGVPWWMSLE-JXMROGBWSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-8-5-11(6-9-12)7-10-15(20)19-14-4-2-1-3-13(14)16(18)21/h1-10H,(H2,18,21)(H,19,20)/b10-7+.
What are the key properties of 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide?
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 300.75 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 717611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).