2-chloro-N-(5-methylhexan-2-yl)benzamide

C14H20ClNO — CID 78789541

IUPAC2-chloro-N-(5-methylhexan-2-yl)benzamide
SMILESCC(C)CCC(C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-10(2)8-9-11(3)16-14(17)12-6-4-5-7-13(12)15/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyAZNPWIQXTZBSDG-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.89
Rot. Bonds5

About 2-chloro-N-(5-methylhexan-2-yl)benzamide

2-chloro-N-(5-methylhexan-2-yl)benzamide (PubChem CID 78789541) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-N-(5-methylhexan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-methylhexan-2-yl)benzamide
PubChem CID78789541
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-N-(5-methylhexan-2-yl)benzamide
SMILESCC(C)CCC(C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-10(2)8-9-11(3)16-14(17)12-6-4-5-7-13(12)15/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyAZNPWIQXTZBSDG-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 7311900
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
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CID 91716474
2-chloro-N-[3-methyl-1-(4-methylpentylamino)-1-oxobutan-2-yl]benzamide
CID 46447854
5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 16560702
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
2-hydroxy-3-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 60653927
2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide
CID 113331662
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methylhexan-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(5-methylhexan-2-yl)benzamide (CID 78789541) is 2-chloro-N-(5-methylhexan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-methylhexan-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(5-methylhexan-2-yl)benzamide is CC(C)CCC(C)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(5-methylhexan-2-yl)benzamide?
The InChIKey is AZNPWIQXTZBSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(2)8-9-11(3)16-14(17)12-6-4-5-7-13(12)15/h4-7,10-11H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-chloro-N-(5-methylhexan-2-yl)benzamide?
2-chloro-N-(5-methylhexan-2-yl)benzamide has a molecular weight of 253.77 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methylhexan-2-yl)benzamide is sourced from PubChem (CID 78789541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).