2-amino-4-chloro-N-(3-hydroxybutyl)benzamide

C11H15ClN2O2 — CID 64927021

IUPAC2-amino-4-chloro-N-(3-hydroxybutyl)benzamide
SMILESCC(O)CCNC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H15ClN2O2/c1-7(15)4-5-14-11(16)9-3-2-8(12)6-10(9)13/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16)
InChIKeyUSJCMIZKTRRRGX-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.42
Rot. Bonds4

About 2-amino-4-chloro-N-(3-hydroxybutyl)benzamide

2-amino-4-chloro-N-(3-hydroxybutyl)benzamide (PubChem CID 64927021) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(3-hydroxybutyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(3-hydroxybutyl)benzamide
PubChem CID64927021
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-amino-4-chloro-N-(3-hydroxybutyl)benzamide
SMILESCC(O)CCNC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H15ClN2O2/c1-7(15)4-5-14-11(16)9-3-2-8(12)6-10(9)13/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16)
InChIKeyUSJCMIZKTRRRGX-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148
2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
CID 43553064
4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
CID 63110659
2-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62636223
2,4-diamino-N-(3-methylbutyl)benzamide
CID 61092536
2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476340
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43498535
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(3-hydroxybutyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(3-hydroxybutyl)benzamide (CID 64927021) is 2-amino-4-chloro-N-(3-hydroxybutyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(3-hydroxybutyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(3-hydroxybutyl)benzamide is CC(O)CCNC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(3-hydroxybutyl)benzamide?
The InChIKey is USJCMIZKTRRRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(15)4-5-14-11(16)9-3-2-8(12)6-10(9)13/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-4-chloro-N-(3-hydroxybutyl)benzamide?
2-amino-4-chloro-N-(3-hydroxybutyl)benzamide has a molecular weight of 242.71 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(3-hydroxybutyl)benzamide is sourced from PubChem (CID 64927021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).