N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide

C18H16ClNO3 — CID 130352475

IUPACN-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H16ClNO3/c1-11(2)18(22)20-16-9-6-13(19)10-15(16)17(21)12-4-7-14(23-3)8-5-12/h4-10H,1H2,2-3H3,(H,20,22)
InChIKeyMQZVHYYEDIFZRP-UHFFFAOYSA-N
MW329.78 g/mol
LogP4.09
Rot. Bonds5

About N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide

N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide (PubChem CID 130352475) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide
PubChem CID130352475
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC NameN-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H16ClNO3/c1-11(2)18(22)20-16-9-6-13(19)10-15(16)17(21)12-4-7-14(23-3)8-5-12/h4-10H,1H2,2-3H3,(H,20,22)
InChIKeyMQZVHYYEDIFZRP-UHFFFAOYSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.09
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-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508722
N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide
CID 139950006
N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 100795259
(2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 99952036
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
N-[[4-chloro-2-(4-methoxybenzoyl)phenyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 135058504
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 135058493

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide (CID 130352475) is N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide?
The InChIKey is MQZVHYYEDIFZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-11(2)18(22)20-16-9-6-13(19)10-15(16)17(21)12-4-7-14(23-3)8-5-12/h4-10H,1H2,2-3H3,(H,20,22).
What are the key properties of N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide?
N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide has a molecular weight of 329.78 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 130352475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).