4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide

C16H13ClN2O2 — CID 166410938

IUPAC4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
SMILESC=CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2O2/c1-2-15(20)18-13-7-9-14(10-8-13)19-16(21)11-3-5-12(17)6-4-11/h2-10H,1H2,(H,18,20)(H,19,21)
InChIKeyHZTVQVCYPSALQP-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.72
Rot. Bonds4

About 4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide

4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide (PubChem CID 166410938) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
PubChem CID166410938
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
SMILESC=CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2O2/c1-2-15(20)18-13-7-9-14(10-8-13)19-16(21)11-3-5-12(17)6-4-11/h2-10H,1H2,(H,18,20)(H,19,21)
InChIKeyHZTVQVCYPSALQP-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 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 ≤ 53.72
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

N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
CID 134119182
4-chloro-N-methyl-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410939
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
4-chloro-N'-prop-2-enoylbenzohydrazide
CID 101094215
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
4-(prop-2-enoylamino)-N-sulfamoylbenzamide
CID 20608051
[amino-[4-(prop-2-enoylamino)phenyl]methylidene]azanium
CID 137274434

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide (CID 166410938) is 4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide is C=CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide?
The InChIKey is HZTVQVCYPSALQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-2-15(20)18-13-7-9-14(10-8-13)19-16(21)11-3-5-12(17)6-4-11/h2-10H,1H2,(H,18,20)(H,19,21).
What are the key properties of 4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide?
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide has a molecular weight of 300.75 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide is sourced from PubChem (CID 166410938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).