N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide

C9H8ClF2NO — CID 103605147

IUPACN-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
SMILESCc1cc(Cl)ccc1NC(=O)C(F)F
InChIInChI=1S/C9H8ClF2NO/c1-5-4-6(10)2-3-7(5)13-9(14)8(11)12/h2-4,8H,1H3,(H,13,14)
InChIKeyPAJNEFVBUBYHQG-UHFFFAOYSA-N
MW219.62 g/mol
LogP2.85
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide

N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide (PubChem CID 103605147) has the molecular formula C9H8ClF2NO and a molecular weight of 219.62 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
PubChem CID103605147
Molecular FormulaC9H8ClF2NO
Molecular Weight219.62 g/mol
Exact Mass219.03
IUPAC NameN-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
SMILESCc1cc(Cl)ccc1NC(=O)C(F)F
InChIInChI=1S/C9H8ClF2NO/c1-5-4-6(10)2-3-7(5)13-9(14)8(11)12/h2-4,8H,1H3,(H,13,14)
InChIKeyPAJNEFVBUBYHQG-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-ethylbutanamide
CID 882107
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166070249
N-(4-chloro-2-methylphenyl)-2-cyanobutanamide
CID 55207021
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910302
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide (CID 103605147) is N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide is Cc1cc(Cl)ccc1NC(=O)C(F)F.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide?
The InChIKey is PAJNEFVBUBYHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO/c1-5-4-6(10)2-3-7(5)13-9(14)8(11)12/h2-4,8H,1H3,(H,13,14).
What are the key properties of N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide?
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide has a molecular weight of 219.62 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103605147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).