3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide

C18H18ClNO — CID 54031031

IUPAC3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
SMILESCc1cc(C)cc(NC(=O)C=Cc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C18H18ClNO/c1-12-8-13(2)10-16(9-12)20-18(21)7-5-15-4-6-17(19)14(3)11-15/h4-11H,1-3H3,(H,20,21)
InChIKeyLFPLNSSCPDPHTG-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.92
Rot. Bonds3

About 3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide

3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide (PubChem CID 54031031) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
PubChem CID54031031
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
SMILESCc1cc(C)cc(NC(=O)C=Cc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C18H18ClNO/c1-12-8-13(2)10-16(9-12)20-18(21)7-5-15-4-6-17(19)14(3)11-15/h4-11H,1-3H3,(H,20,21)
InChIKeyLFPLNSSCPDPHTG-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.92
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-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
CID 59569556
(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 39387862
(E)-3-(4-chloro-3-methylphenyl)prop-2-enoic acid
CID 21190486
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
3-(3,4-dichlorophenyl)-N-(4,6-dimethylpyridin-1-ium-2-yl)prop-2-enamide
CID 4746135
(E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 28867808
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
(E)-3-(4-chlorophenyl)-N-(4-iodo-3,5-dimethylphenyl)prop-2-enamide
CID 17274650
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 82153802

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide (CID 54031031) is 3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide is Cc1cc(C)cc(NC(=O)C=Cc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
The InChIKey is LFPLNSSCPDPHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-12-8-13(2)10-16(9-12)20-18(21)7-5-15-4-6-17(19)14(3)11-15/h4-11H,1-3H3,(H,20,21).
What are the key properties of 3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide has a molecular weight of 299.80 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 54031031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).