2-chloro-N-(3-methylbutyl)benzamide

C12H16ClNO — CID 669760

IUPAC2-chloro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-9(2)7-8-14-12(15)10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyPGNJNTVXQORETO-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.12
Rot. Bonds4

About 2-chloro-N-(3-methylbutyl)benzamide

2-chloro-N-(3-methylbutyl)benzamide (PubChem CID 669760) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutyl)benzamide
PubChem CID669760
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-9(2)7-8-14-12(15)10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyPGNJNTVXQORETO-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromobutyl)-2-chlorobenzamide
CID 114312542
2-ethynyl-N-(3-methylbutyl)benzamide
CID 87312816
2-hydrazinyl-N-(3-methylbutyl)benzamide
CID 62238189
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832377
N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide
CID 134132713
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541
2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
CID 119703576
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 53011449
2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide
CID 142077202
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
CID 153096273

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-chloro-N-(3-methylbutyl)benzamide (CID 669760) is 2-chloro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-methylbutyl)benzamide?
The InChIKey is PGNJNTVXQORETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9(2)7-8-14-12(15)10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-(3-methylbutyl)benzamide?
2-chloro-N-(3-methylbutyl)benzamide has a molecular weight of 225.72 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 669760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).