N-butyl-3-chlorobenzamide

C11H14ClNO — CID 3552304

IUPACN-butyl-3-chlorobenzamide
SMILESCCCCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-2-3-7-13-11(14)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7H2,1H3,(H,13,14)
InChIKeyNKQOQWJDLCYELT-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.87
Rot. Bonds4

About N-butyl-3-chlorobenzamide

N-butyl-3-chlorobenzamide (PubChem CID 3552304) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-butyl-3-chlorobenzamide.

Molecular Properties

Compound NameN-butyl-3-chlorobenzamide
PubChem CID3552304
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-butyl-3-chlorobenzamide
SMILESCCCCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-2-3-7-13-11(14)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7H2,1H3,(H,13,14)
InChIKeyNKQOQWJDLCYELT-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bupropion
CID 444
Propyzamide
CID 32154
N-Methylbenzamide
CID 11954
Amylase
CID 71475145
N-Propylbenzamide
CID 25354
3,5-Dichloro-N-(1,1-dimethyl-2-oxopropyl)benzamide
CID 3015486
N-(4-Chlorobenzoyl)glycine
CID 26009
N-Ethylbenzamide
CID 11959
3-Chlorobenzamide
CID 69254
N-Butylbenzamide
CID 76024
3-[(4-chlorobenzoyl)amino]propanoic Acid
CID 1235725
N-Benzoylbenzylamine
CID 73878

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chlorobenzamide?
The IUPAC name of N-butyl-3-chlorobenzamide (CID 3552304) is N-butyl-3-chlorobenzamide.
What is the SMILES notation for N-butyl-3-chlorobenzamide?
The canonical SMILES for N-butyl-3-chlorobenzamide is CCCCNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-butyl-3-chlorobenzamide?
The InChIKey is NKQOQWJDLCYELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-2-3-7-13-11(14)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7H2,1H3,(H,13,14).
What are the key properties of N-butyl-3-chlorobenzamide?
N-butyl-3-chlorobenzamide has a molecular weight of 211.69 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chlorobenzamide is sourced from PubChem (CID 3552304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).