5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide

C12H15ClF3N3O — CID 107195388

IUPAC5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide
SMILESCCCN(CC(F)(F)F)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C12H15ClF3N3O/c1-2-3-19(6-12(14,15)16)10-8(11(18)20)4-7(17)5-9(10)13/h4-5H,2-3,6,17H2,1H3,(H2,18,20)
InChIKeyKKSWWJWXSLUZJT-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.80
Rot. Bonds5

About 5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide

5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide (PubChem CID 107195388) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide
PubChem CID107195388
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide
SMILESCCCN(CC(F)(F)F)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C12H15ClF3N3O/c1-2-3-19(6-12(14,15)16)10-8(11(18)20)4-7(17)5-9(10)13/h4-5H,2-3,6,17H2,1H3,(H2,18,20)
InChIKeyKKSWWJWXSLUZJT-UHFFFAOYSA-N
XLogP2.80
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.80
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

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CID 31526255
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4-Chloro-2-(prop-2-enylamino)benzamide
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2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]benzamide
CID 22245124
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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-[propyl(2,2,2-trifluoroethyl)amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide (CID 107195388) is 5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide is CCCN(CC(F)(F)F)c1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide?
The InChIKey is KKSWWJWXSLUZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-2-3-19(6-12(14,15)16)10-8(11(18)20)4-7(17)5-9(10)13/h4-5H,2-3,6,17H2,1H3,(H2,18,20).
What are the key properties of 5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide?
5-amino-3-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzamide has a molecular weight of 309.72 g/mol, XLogP of 2.80, 5 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-[propyl(2,2,2-trifluoroethyl)amino]benzamide is sourced from PubChem (CID 107195388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).