(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide

C16H14ClNO — CID 59569556

IUPAC(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccccc2)ccc1Cl
InChIInChI=1S/C16H14ClNO/c1-12-11-14(8-9-15(12)17)18-16(19)10-7-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b10-7+
InChIKeyWDEOQGLOXUQSLK-JXMROGBWSA-N
MW271.75 g/mol
LogP4.30
Rot. Bonds3

About (E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide

(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide (PubChem CID 59569556) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
PubChem CID59569556
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccccc2)ccc1Cl
InChIInChI=1S/C16H14ClNO/c1-12-11-14(8-9-15(12)17)18-16(19)10-7-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b10-7+
InChIKeyWDEOQGLOXUQSLK-JXMROGBWSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 715676
3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 54031031
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
3-amino-N-[2-chloro-5-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
CID 82034414
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
(E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 28867808
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
N-(3,4-dichlorophenyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide
CID 23096785
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
(E)-3-(4-chlorophenyl)-N-(3-iodo-4-methylphenyl)prop-2-enamide
CID 7925553
(E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide
CID 2423036

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide (CID 59569556) is (E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide is Cc1cc(NC(=O)/C=C/c2ccccc2)ccc1Cl.
What is the InChIKey of (E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide?
The InChIKey is WDEOQGLOXUQSLK-JXMROGBWSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-12-11-14(8-9-15(12)17)18-16(19)10-7-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b10-7+.
What are the key properties of (E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide?
(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide has a molecular weight of 271.75 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 59569556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).