N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide

C17H16ClNO2 — CID 883171

IUPACN-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClNO2/c1-12-3-7-14(11-16(12)18)19-17(20)10-6-13-4-8-15(21-2)9-5-13/h3-11H,1-2H3,(H,19,20)
InChIKeyMYBVYKJVWNAYEF-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.31
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide

N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 883171) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID883171
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClNO2/c1-12-3-7-14(11-16(12)18)19-17(20)10-6-13-4-8-15(21-2)9-5-13/h3-11H,1-2H3,(H,19,20)
InChIKeyMYBVYKJVWNAYEF-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-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
(E)-3-(3-chloro-4-methylphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26695081
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
(E)-N-(3-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 2371149
(E)-3-(3-amino-4-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 39433531
N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 4189478
(E)-N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1121350
5-[3-(4-methoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylic acid
CID 155026003
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 883171) is N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is MYBVYKJVWNAYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-12-3-7-14(11-16(12)18)19-17(20)10-6-13-4-8-15(21-2)9-5-13/h3-11H,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)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 N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 883171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).