(E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide

C17H16ClNO — CID 6261301

IUPAC(E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H16ClNO/c1-12-8-9-15(18)11-16(12)19-17(20)13(2)10-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20)/b13-10+
InChIKeyQVMVQVBGUCJDHH-JLHYYAGUSA-N
MW285.77 g/mol
LogP4.69
Rot. Bonds3

About (E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide

(E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide (PubChem CID 6261301) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
PubChem CID6261301
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H16ClNO/c1-12-8-9-15(18)11-16(12)19-17(20)13(2)10-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20)/b13-10+
InChIKeyQVMVQVBGUCJDHH-JLHYYAGUSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.69
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-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 110618434
(E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 84575680
4-chloro-2-[[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoyl]amino]benzoic acid
CID 23292200
2-[[3-(3-chlorophenyl)-2-methylprop-2-enoyl]amino]benzoic acid
CID 54488597
(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
CID 19174131
(E)-2-methyl-3-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)prop-2-enamide
CID 121018678
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051
(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide
CID 6140397
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
(E)-N-(5-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8502365
2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide
CID 2187766
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide (CID 6261301) is (E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of (E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide?
The InChIKey is QVMVQVBGUCJDHH-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-12-8-9-15(18)11-16(12)19-17(20)13(2)10-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20)/b13-10+.
What are the key properties of (E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide?
(E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide has a molecular weight of 285.77 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 6261301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).