5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide

C13H19ClN2O — CID 43371733

IUPAC5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-8(2)6-9(3)16-13(17)11-7-10(15)4-5-12(11)14/h4-5,7-9H,6,15H2,1-3H3,(H,16,17)
InChIKeyAZELPZPEDYFIKT-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.09
Rot. Bonds4

About 5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide

5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide (PubChem CID 43371733) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
PubChem CID43371733
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-8(2)6-9(3)16-13(17)11-7-10(15)4-5-12(11)14/h4-5,7-9H,6,15H2,1-3H3,(H,16,17)
InChIKeyAZELPZPEDYFIKT-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 107150578
2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide
CID 113331662
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 61146087
5-amino-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 81315869
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
CID 107869053
4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
CID 119786700
5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide
CID 55047014
5-amino-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93091479
3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43371726

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide (CID 43371733) is 5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)NC(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is AZELPZPEDYFIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8(2)6-9(3)16-13(17)11-7-10(15)4-5-12(11)14/h4-5,7-9H,6,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide?
5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 254.76 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 43371733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).