3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide

C17H16ClNO2 — CID 887196

IUPAC3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)C=Cc1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-12-6-8-16(21-2)15(10-12)19-17(20)9-7-13-4-3-5-14(18)11-13/h3-11H,1-2H3,(H,19,20)
InChIKeyNDUNQENETWQGGV-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.31
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide

3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 887196) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID887196
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)C=Cc1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-12-6-8-16(21-2)15(10-12)19-17(20)9-7-13-4-3-5-14(18)11-13/h3-11H,1-2H3,(H,19,20)
InChIKeyNDUNQENETWQGGV-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8763498
(E)-3-(3-bromophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 2060872
(E)-3-(3-chlorophenyl)-N-[4-[4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6167581
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 39423073
(E)-3-(4-acetamidophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 31252704
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9098331
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
methyl 4-[3-(2-methoxy-5-methylanilino)-3-oxoprop-1-enyl]benzoate
CID 3402722
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
(E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 35559066
(E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 46551428

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 887196) is 3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide is COc1ccc(C)cc1NC(=O)C=Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is NDUNQENETWQGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-12-6-8-16(21-2)15(10-12)19-17(20)9-7-13-4-3-5-14(18)11-13/h3-11H,1-2H3,(H,19,20).
What are the key properties of 3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide has a molecular weight of 301.77 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 887196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).