4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide

C24H27ClN2O3 — CID 1187135

IUPAC4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCOc1ccc(C=C(NC(=O)c2ccc(Cl)cc2)C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C24H27ClN2O3/c1-27(20-6-4-3-5-7-20)24(29)22(16-17-8-14-21(30-2)15-9-17)26-23(28)18-10-12-19(25)13-11-18/h8-16,20H,3-7H2,1-2H3,(H,26,28)
InChIKeyZPOUBBCMPRDWLL-UHFFFAOYSA-N
MW426.94 g/mol
LogP4.91
Rot. Bonds6

About 4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide

4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 1187135) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is 4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID1187135
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCOc1ccc(C=C(NC(=O)c2ccc(Cl)cc2)C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C24H27ClN2O3/c1-27(20-6-4-3-5-7-20)24(29)22(16-17-8-14-21(30-2)15-9-17)26-23(28)18-10-12-19(25)13-11-18/h8-16,20H,3-7H2,1-2H3,(H,26,28)
InChIKeyZPOUBBCMPRDWLL-UHFFFAOYSA-N
XLogP4.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 740454
N-[1-(4-chlorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 1324039
methyl (E)-2-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 10522438
4-butoxy-N-[1-(4-chlorophenyl)-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2907608
N-[1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51268308
(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 7454304
N-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 3090292
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide
CID 102136458

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide (CID 1187135) is 4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide is COc1ccc(C=C(NC(=O)c2ccc(Cl)cc2)C(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of 4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is ZPOUBBCMPRDWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c1-27(20-6-4-3-5-7-20)24(29)22(16-17-8-14-21(30-2)15-9-17)26-23(28)18-10-12-19(25)13-11-18/h8-16,20H,3-7H2,1-2H3,(H,26,28).
What are the key properties of 4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 426.94 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 1187135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).