N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide

C19H20ClNO3 — CID 86292915

IUPACN-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C(=O)c2ccc(Cl)cc2)C(C)C)c1
InChIInChI=1S/C19H20ClNO3/c1-12(2)17(18(22)13-7-9-15(20)10-8-13)21-19(23)14-5-4-6-16(11-14)24-3/h4-12,17H,1-3H3,(H,21,23)
InChIKeyVEVBKHGGEOPBLG-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.99
Rot. Bonds6

About N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide

N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide (PubChem CID 86292915) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
PubChem CID86292915
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC NameN-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C(=O)c2ccc(Cl)cc2)C(C)C)c1
InChIInChI=1S/C19H20ClNO3/c1-12(2)17(18(22)13-7-9-15(20)10-8-13)21-19(23)14-5-4-6-16(11-14)24-3/h4-12,17H,1-3H3,(H,21,23)
InChIKeyVEVBKHGGEOPBLG-UHFFFAOYSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 125144559
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
CID 62919485
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101518
[1-(4-chlorophenyl)-1-oxopropan-2-yl] (2S)-2-benzamido-3-methylbutanoate
CID 16564578
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010239
N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 2709764
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide (CID 86292915) is N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC(C(=O)c2ccc(Cl)cc2)C(C)C)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide?
The InChIKey is VEVBKHGGEOPBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-12(2)17(18(22)13-7-9-15(20)10-8-13)21-19(23)14-5-4-6-16(11-14)24-3/h4-12,17H,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide?
N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide has a molecular weight of 345.83 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 86292915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).