4-acetamido-N-butyl-3-chlorobenzamide

C13H17ClN2O2 — CID 2200726

IUPAC4-acetamido-N-butyl-3-chlorobenzamide
SMILESCCCCNC(=O)c1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-3-4-7-15-13(18)10-5-6-12(11(14)8-10)16-9(2)17/h5-6,8H,3-4,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyFTNDVZYGOIBVOE-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.83
Rot. Bonds5

About 4-acetamido-N-butyl-3-chlorobenzamide

4-acetamido-N-butyl-3-chlorobenzamide (PubChem CID 2200726) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-acetamido-N-butyl-3-chlorobenzamide.

Molecular Properties

Compound Name4-acetamido-N-butyl-3-chlorobenzamide
PubChem CID2200726
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-acetamido-N-butyl-3-chlorobenzamide
SMILESCCCCNC(=O)c1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-3-4-7-15-13(18)10-5-6-12(11(14)8-10)16-9(2)17/h5-6,8H,3-4,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyFTNDVZYGOIBVOE-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Acetylprocainamide
CID 4342
Acecainide Hydrochloride
CID 71417
Declopramide
CID 70177
4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
CID 3994
4-amino-3,5-dichloro-N-cyclopropylbenzamide
CID 43397
N-(2-Chlorophenyl)benzamide
CID 13918
N-(2-chlorophenyl)-4-methylbenzamide
CID 723111
Cis-4-Amino-N-(7-Chloro-1-Oxo-1,2-Dihydroisoquinolin-6-Yl)cyclohexanecarboxamide
CID 49786965
4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 46199074
2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 853711
4-amino-N-ethylbenzamide
CID 577773
3-chloro-N-(4-methylphenyl)benzamide
CID 722375

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-butyl-3-chlorobenzamide?
The IUPAC name of 4-acetamido-N-butyl-3-chlorobenzamide (CID 2200726) is 4-acetamido-N-butyl-3-chlorobenzamide.
What is the SMILES notation for 4-acetamido-N-butyl-3-chlorobenzamide?
The canonical SMILES for 4-acetamido-N-butyl-3-chlorobenzamide is CCCCNC(=O)c1ccc(NC(C)=O)c(Cl)c1.
What is the InChIKey of 4-acetamido-N-butyl-3-chlorobenzamide?
The InChIKey is FTNDVZYGOIBVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-4-7-15-13(18)10-5-6-12(11(14)8-10)16-9(2)17/h5-6,8H,3-4,7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-acetamido-N-butyl-3-chlorobenzamide?
4-acetamido-N-butyl-3-chlorobenzamide has a molecular weight of 268.74 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-butyl-3-chlorobenzamide is sourced from PubChem (CID 2200726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).