2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide

C13H18ClNO — CID 7311900

IUPAC2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
SMILESCC(C)C[C@@H](C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c1-9(2)8-10(3)15-13(16)11-6-4-5-7-12(11)14/h4-7,9-10H,8H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyBUFICHUIBRCMOB-SNVBAGLBSA-N
MW239.75 g/mol
LogP3.50
Rot. Bonds4

About 2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide

2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide (PubChem CID 7311900) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
PubChem CID7311900
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
SMILESCC(C)C[C@@H](C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c1-9(2)8-10(3)15-13(16)11-6-4-5-7-12(11)14/h4-7,9-10H,8H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyBUFICHUIBRCMOB-SNVBAGLBSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541
2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide
CID 113331662
2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
CID 43529160
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
CID 43371733
5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 61146087
3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43371726
3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492460
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide (CID 7311900) is 2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide is CC(C)C[C@@H](C)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide?
The InChIKey is BUFICHUIBRCMOB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(2)8-10(3)15-13(16)11-6-4-5-7-12(11)14/h4-7,9-10H,8H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide?
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide has a molecular weight of 239.75 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide is sourced from PubChem (CID 7311900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).