4-amino-2-chloro-N-(2-ethylbutyl)benzamide

C13H19ClN2O — CID 115738201

IUPAC4-amino-2-chloro-N-(2-ethylbutyl)benzamide
SMILESCCC(CC)CNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-9(4-2)8-16-13(17)11-6-5-10(15)7-12(11)14/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyHMJQHPXGCMJSDY-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.09
Rot. Bonds5

About 4-amino-2-chloro-N-(2-ethylbutyl)benzamide

4-amino-2-chloro-N-(2-ethylbutyl)benzamide (PubChem CID 115738201) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-ethylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-ethylbutyl)benzamide
PubChem CID115738201
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-amino-2-chloro-N-(2-ethylbutyl)benzamide
SMILESCCC(CC)CNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-9(4-2)8-16-13(17)11-6-5-10(15)7-12(11)14/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyHMJQHPXGCMJSDY-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
2-chloro-N-(2-ethylbutyl)-4-nitrobenzamide
CID 113232033
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93081059
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
CID 113257506
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103812552
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-ethylbutyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(2-ethylbutyl)benzamide (CID 115738201) is 4-amino-2-chloro-N-(2-ethylbutyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2-ethylbutyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(2-ethylbutyl)benzamide is CCC(CC)CNC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(2-ethylbutyl)benzamide?
The InChIKey is HMJQHPXGCMJSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-9(4-2)8-16-13(17)11-6-5-10(15)7-12(11)14/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-2-chloro-N-(2-ethylbutyl)benzamide?
4-amino-2-chloro-N-(2-ethylbutyl)benzamide has a molecular weight of 254.76 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-ethylbutyl)benzamide is sourced from PubChem (CID 115738201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).