(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide

C17H16ClNO2 — CID 8763498

IUPAC(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=C/c1cccc(C)c1
InChIInChI=1S/C17H16ClNO2/c1-12-4-3-5-13(10-12)6-9-17(20)19-15-11-14(18)7-8-16(15)21-2/h3-11H,1-2H3,(H,19,20)/b9-6+
InChIKeySPMQYNMQRDFJOU-RMKNXTFCSA-N
MW301.77 g/mol
LogP4.31
Rot. Bonds4

About (E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide

(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide (PubChem CID 8763498) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
PubChem CID8763498
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=C/c1cccc(C)c1
InChIInChI=1S/C17H16ClNO2/c1-12-4-3-5-13(10-12)6-9-17(20)19-15-11-14(18)7-8-16(15)21-2/h3-11H,1-2H3,(H,19,20)/b9-6+
InChIKeySPMQYNMQRDFJOU-RMKNXTFCSA-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

3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 887196
(E)-N-(5-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8502365
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
(E)-3-(3-bromophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 2060872
methyl 4-[(E)-3-(5-chloro-2-methoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 40627752
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 39423073
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 6017178
(E)-N-(5-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 8763385
3-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 4263710
(E)-3-(3-chlorophenyl)-N-[4-[4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6167581
N-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 1327874
(E)-3-(4-acetamidophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 31252704

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide (CID 8763498) is (E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide is COc1ccc(Cl)cc1NC(=O)/C=C/c1cccc(C)c1.
What is the InChIKey of (E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is SPMQYNMQRDFJOU-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-12-4-3-5-13(10-12)6-9-17(20)19-15-11-14(18)7-8-16(15)21-2/h3-11H,1-2H3,(H,19,20)/b9-6+.
What are the key properties of (E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide?
(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-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 (E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 8763498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).