2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide

C12H14ClF3N2O — CID 43650065

IUPAC2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-2-3-9(17)11(19)18-10-5-4-7(13)6-8(10)12(14,15)16/h4-6,9H,2-3,17H2,1H3,(H,18,19)
InChIKeyDLPBQRYDZQCWPK-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.42
Rot. Bonds4

About 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide

2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide (PubChem CID 43650065) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
PubChem CID43650065
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-2-3-9(17)11(19)18-10-5-4-7(13)6-8(10)12(14,15)16/h4-6,9H,2-3,17H2,1H3,(H,18,19)
InChIKeyDLPBQRYDZQCWPK-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide
CID 81084287
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide
CID 60848978
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
2-(aminomethyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
CID 65225936
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 79796494
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195644
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylbutyl)urea
CID 47325404
2-amino-N-(5-chloro-2-nitrophenyl)pentanamide
CID 43703652

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide (CID 43650065) is 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide is CCCC(N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is DLPBQRYDZQCWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-2-3-9(17)11(19)18-10-5-4-7(13)6-8(10)12(14,15)16/h4-6,9H,2-3,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide?
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 294.70 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 43650065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).