5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide

C10H12ClF2N3O — CID 107196799

IUPAC5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide
SMILESCN(CC(F)F)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C10H12ClF2N3O/c1-16(4-8(12)13)9-6(10(15)17)2-5(14)3-7(9)11/h2-3,8H,4,14H2,1H3,(H2,15,17)
InChIKeyXFQFVWMESMZHQA-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.72
Rot. Bonds4

About 5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide

5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide (PubChem CID 107196799) has the molecular formula C10H12ClF2N3O and a molecular weight of 263.68 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide
PubChem CID107196799
Molecular FormulaC10H12ClF2N3O
Molecular Weight263.68 g/mol
Exact Mass263.06
IUPAC Name5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide
SMILESCN(CC(F)F)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C10H12ClF2N3O/c1-16(4-8(12)13)9-6(10(15)17)2-5(14)3-7(9)11/h2-3,8H,4,14H2,1H3,(H2,15,17)
InChIKeyXFQFVWMESMZHQA-UHFFFAOYSA-N
XLogP1.72
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[2-Chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]amino]benzamide
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CID 177656682
4-Chloro-2-(prop-2-enylamino)benzamide
CID 85775260
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]benzamide
CID 22245124
5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide
CID 58483302
3-Chloro-2-piperazin-1-yl-5-(trifluoromethyl)benzamide
CID 67551071
5-amino-N-(3-chloro-4-fluorophenyl)-2-(2,2-difluoroethylamino)-4-ethylbenzamide
CID 88539283
5-Chloro-2-(4,4,4-trifluorobutylamino)benzamide
CID 118058845
3-[[(1S)-1-(8-chloro-6-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]benzamide
CID 135378287
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(methylamino)benzamide
CID 139521867
6-Chloro-1,4-dimethyl-8-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-5-one
CID 140293793
3-chloro-5-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
CID 140752535

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide (CID 107196799) is 5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide is CN(CC(F)F)c1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide?
The InChIKey is XFQFVWMESMZHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N3O/c1-16(4-8(12)13)9-6(10(15)17)2-5(14)3-7(9)11/h2-3,8H,4,14H2,1H3,(H2,15,17).
What are the key properties of 5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide?
5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide has a molecular weight of 263.68 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[2,2-difluoroethyl(methyl)amino]benzamide is sourced from PubChem (CID 107196799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).