N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide

C18H19ClN2O3 — CID 960096

IUPACN-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2OC)c1
InChIInChI=1S/C18H19ClN2O3/c1-3-6-17(22)20-12-9-10-14(19)15(11-12)21-18(23)13-7-4-5-8-16(13)24-2/h4-5,7-11H,3,6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOVHWVLXUQSCBFJ-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.34
Rot. Bonds6

About N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide

N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide (PubChem CID 960096) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide
PubChem CID960096
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2OC)c1
InChIInChI=1S/C18H19ClN2O3/c1-3-6-17(22)20-12-9-10-14(19)15(11-12)21-18(23)13-7-4-5-8-16(13)24-2/h4-5,7-11H,3,6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOVHWVLXUQSCBFJ-UHFFFAOYSA-N
XLogP4.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide
CID 55799168
N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-iodobenzamide
CID 4510130
N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 2236520
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-methoxybenzamide
CID 3161538
5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide
CID 17174595
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]-2-methoxybenzamide
CID 39184598

Frequently Asked Questions

What is the IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide?
The IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide (CID 960096) is N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide?
The canonical SMILES for N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2OC)c1.
What is the InChIKey of N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide?
The InChIKey is OVHWVLXUQSCBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-6-17(22)20-12-9-10-14(19)15(11-12)21-18(23)13-7-4-5-8-16(13)24-2/h4-5,7-11H,3,6H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide?
N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide has a molecular weight of 346.81 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide is sourced from PubChem (CID 960096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).