N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide

C9H5ClF2N2O — CID 103513783

IUPACN-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide
SMILESN#Cc1ccc(Cl)c(NC(=O)C(F)F)c1
InChIInChI=1S/C9H5ClF2N2O/c10-6-2-1-5(4-13)3-7(6)14-9(15)8(11)12/h1-3,8H,(H,14,15)
InChIKeyRLHMMZYQBLOMAM-UHFFFAOYSA-N
MW230.60 g/mol
LogP2.42
Rot. Bonds2

About N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide

N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide (PubChem CID 103513783) has the molecular formula C9H5ClF2N2O and a molecular weight of 230.60 g/mol. Its IUPAC name is N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide
PubChem CID103513783
Molecular FormulaC9H5ClF2N2O
Molecular Weight230.60 g/mol
Exact Mass230.01
IUPAC NameN-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide
SMILESN#Cc1ccc(Cl)c(NC(=O)C(F)F)c1
InChIInChI=1S/C9H5ClF2N2O/c10-6-2-1-5(4-13)3-7(6)14-9(15)8(11)12/h1-3,8H,(H,14,15)
InChIKeyRLHMMZYQBLOMAM-UHFFFAOYSA-N
XLogP2.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.60
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-chloro-5-cyanophenyl)-2-methylbutanamide
CID 113416373
N-(2-chloro-5-cyanophenyl)-3-methyl-2-sulfanylbutanamide
CID 107032759
1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107653480
N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide
CID 2354239
(2S)-3-[(2-chloro-5-cyanophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107840545
chloromethyl N-(2-chloro-5-cyanophenyl)carbamate
CID 164652627
1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 62105248
N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
CID 113218224
4-amino-N-(2-chloro-5-cyanophenyl)-3-methylbutanamide
CID 81079180
2-amino-5-chloro-N-(2-chloro-5-cyanophenyl)pyridine-4-carboxamide
CID 114924132
N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107032756
5-[(2-chloro-5-cyanophenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686832

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide?
The IUPAC name of N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide (CID 103513783) is N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide is N#Cc1ccc(Cl)c(NC(=O)C(F)F)c1.
What is the InChIKey of N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide?
The InChIKey is RLHMMZYQBLOMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O/c10-6-2-1-5(4-13)3-7(6)14-9(15)8(11)12/h1-3,8H,(H,14,15).
What are the key properties of N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide?
N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide has a molecular weight of 230.60 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103513783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).