4-amino-N-butyl-3-chlorobenzamide

C11H15ClN2O — CID 59763688

IUPAC4-amino-N-butyl-3-chlorobenzamide
SMILESCCCCNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-2-3-6-14-11(15)8-4-5-10(13)9(12)7-8/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyBGKMZQPRBKGJCG-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.45
Rot. Bonds4

About 4-amino-N-butyl-3-chlorobenzamide

4-amino-N-butyl-3-chlorobenzamide (PubChem CID 59763688) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-amino-N-butyl-3-chlorobenzamide.

Molecular Properties

Compound Name4-amino-N-butyl-3-chlorobenzamide
PubChem CID59763688
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-amino-N-butyl-3-chlorobenzamide
SMILESCCCCNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-2-3-6-14-11(15)8-4-5-10(13)9(12)7-8/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyBGKMZQPRBKGJCG-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 115325439
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CID 115519387
4-amino-3-methyl-N-octylbenzamide
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4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
4-amino-N-dodecyl-3-hydroxybenzamide
CID 22411110
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333004
4-amino-3-chloro-N-(2-pyrrol-1-ylethyl)benzamide
CID 114182714
3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide
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4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-3-chlorobenzamide?
The IUPAC name of 4-amino-N-butyl-3-chlorobenzamide (CID 59763688) is 4-amino-N-butyl-3-chlorobenzamide.
What is the SMILES notation for 4-amino-N-butyl-3-chlorobenzamide?
The canonical SMILES for 4-amino-N-butyl-3-chlorobenzamide is CCCCNC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-N-butyl-3-chlorobenzamide?
The InChIKey is BGKMZQPRBKGJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-2-3-6-14-11(15)8-4-5-10(13)9(12)7-8/h4-5,7H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-butyl-3-chlorobenzamide?
4-amino-N-butyl-3-chlorobenzamide has a molecular weight of 226.71 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-3-chlorobenzamide is sourced from PubChem (CID 59763688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).