N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide

C19H20ClNO3 — CID 135058493

IUPACN-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H20ClNO3/c1-19(2,3)18(23)21-16-11-14(24-4)9-10-15(16)17(22)12-5-7-13(20)8-6-12/h5-11H,1-4H3,(H,21,23)
InChIKeyOAGAKGWZSXAGEI-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.56
Rot. Bonds4

About N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide

N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide (PubChem CID 135058493) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide
PubChem CID135058493
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC NameN-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H20ClNO3/c1-19(2,3)18(23)21-16-11-14(24-4)9-10-15(16)17(22)12-5-7-13(20)8-6-12/h5-11H,1-4H3,(H,21,23)
InChIKeyOAGAKGWZSXAGEI-UHFFFAOYSA-N
XLogP4.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide
CID 114285613
N-(2-benzoyl-5-methoxyphenyl)-4-methylbenzamide
CID 139696912
2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide
CID 154646082
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
CID 28677113
2-(2,2-dimethylpropanoylamino)-5-methoxybenzenesulfonic acid
CID 121003501
2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid
CID 67638357
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385
2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybenzoic acid
CID 115411628
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide (CID 135058493) is N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide is COc1ccc(C(=O)c2ccc(Cl)cc2)c(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide?
The InChIKey is OAGAKGWZSXAGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-19(2,3)18(23)21-16-11-14(24-4)9-10-15(16)17(22)12-5-7-13(20)8-6-12/h5-11H,1-4H3,(H,21,23).
What are the key properties of N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide?
N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide has a molecular weight of 345.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 135058493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).