2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide

C13H19ClN2O — CID 113331662

IUPAC2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H19ClN2O/c1-8(2)7-9(3)16-13(17)10-5-4-6-11(14)12(10)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeySAPJNYHKPMLCFA-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.09
Rot. Bonds4

About 2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide

2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide (PubChem CID 113331662) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide
PubChem CID113331662
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H19ClN2O/c1-8(2)7-9(3)16-13(17)10-5-4-6-11(14)12(10)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeySAPJNYHKPMLCFA-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

2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 113331728
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229
3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43371726
5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
CID 43371733
2-amino-3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 115540690
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 115540155
2-amino-3-chloro-N-pent-1-yn-3-ylbenzamide
CID 106223380
2-amino-3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150718
2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
CID 43529160
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide (CID 113331662) is 2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)NC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is SAPJNYHKPMLCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8(2)7-9(3)16-13(17)10-5-4-6-11(14)12(10)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide?
2-amino-3-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 2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 113331662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).