N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide

C12H14ClF2NO — CID 82816226

IUPACN-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(C)(C)CCl)c1F
InChIInChI=1S/C12H14ClF2NO/c1-7-4-5-8(14)9(10(7)15)11(17)16-12(2,3)6-13/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyJNOVDWFLRSPEHS-UHFFFAOYSA-N
MW261.70 g/mol
LogP3.02
Rot. Bonds3

About N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide

N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide (PubChem CID 82816226) has the molecular formula C12H14ClF2NO and a molecular weight of 261.70 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide
PubChem CID82816226
Molecular FormulaC12H14ClF2NO
Molecular Weight261.70 g/mol
Exact Mass261.07
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(C)(C)CCl)c1F
InChIInChI=1S/C12H14ClF2NO/c1-7-4-5-8(14)9(10(7)15)11(17)16-12(2,3)6-13/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyJNOVDWFLRSPEHS-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide
CID 106164208
2-[(2,6-difluoro-3-methylbenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 82796858
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2,6-difluoro-3-methylbenzamide
CID 82815896
2,6-difluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-3-methylbenzamide
CID 82799670
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 113271226
2-[[(2,6-difluoro-3-methylbenzoyl)amino]methyl]-2-methylbutanoic acid
CID 82814647
(2R)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926816
N-(3-chlorobutyl)-2,6-difluoro-3-methylbenzamide
CID 82818845
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 114295004
2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
CID 114503969
N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 114295373

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide (CID 82816226) is N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)NC(C)(C)CCl)c1F.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is JNOVDWFLRSPEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO/c1-7-4-5-8(14)9(10(7)15)11(17)16-12(2,3)6-13/h4-5H,6H2,1-3H3,(H,16,17).
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide?
N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 261.70 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82816226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).