2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide

C13H16ClF3N2O — CID 63668958

IUPAC2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H16ClF3N2O/c1-3-6-18-12(20)8(2)19-11-5-4-9(7-10(11)14)13(15,16)17/h4-5,7-8,19H,3,6H2,1-2H3,(H,18,20)
InChIKeyXCXBKWHGNFNPBB-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.69
Rot. Bonds5

About 2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide

2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide (PubChem CID 63668958) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide
PubChem CID63668958
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H16ClF3N2O/c1-3-6-18-12(20)8(2)19-11-5-4-9(7-10(11)14)13(15,16)17/h4-5,7-8,19H,3,6H2,1-2H3,(H,18,20)
InChIKeyXCXBKWHGNFNPBB-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide
CID 63037185
2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 63668275
3-[2-chloro-4-(trifluoromethyl)anilino]butanoic acid
CID 55234535
methyl 2-[2-chloro-4-(trifluoromethyl)anilino]hexanoate
CID 103250822
(2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-N-methoxy-3-methylbutanamide
CID 51927564
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 43707417
(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 51981491
2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 4833414
5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 61478582
N-butyl-2-(4-chloro-2-fluoroanilino)propanamide
CID 60721606
ethyl 2-[2-amino-4-(trifluoromethyl)anilino]propanoate
CID 61498205
2-(propylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269363

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide (CID 63668958) is 2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide?
The InChIKey is XCXBKWHGNFNPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-3-6-18-12(20)8(2)19-11-5-4-9(7-10(11)14)13(15,16)17/h4-5,7-8,19H,3,6H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide?
2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide has a molecular weight of 308.73 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide is sourced from PubChem (CID 63668958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).