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

C11H11ClF3N3O2 — CID 60848978

IUPAC2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H11ClF3N3O2/c12-5-1-2-8(6(3-5)11(13,14)15)18-10(20)7(16)4-9(17)19/h1-3,7H,4,16H2,(H2,17,19)(H,18,20)
InChIKeyDCGKZYFXAHGINW-UHFFFAOYSA-N
MW309.68 g/mol
LogP1.50
Rot. Bonds4

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

2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide (PubChem CID 60848978) has the molecular formula C11H11ClF3N3O2 and a molecular weight of 309.68 g/mol. Its IUPAC name is 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide
PubChem CID60848978
Molecular FormulaC11H11ClF3N3O2
Molecular Weight309.68 g/mol
Exact Mass309.05
IUPAC Name2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H11ClF3N3O2/c12-5-1-2-8(6(3-5)11(13,14)15)18-10(20)7(16)4-9(17)19/h1-3,7H,4,16H2,(H2,17,19)(H,18,20)
InChIKeyDCGKZYFXAHGINW-UHFFFAOYSA-N
XLogP1.50
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
CID 54928613
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
CID 43650065
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide
CID 81084287
4-chloro-2-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 61158455
2-(aminomethyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
CID 65225936
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195644
4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 81070111
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
2-amino-N-(2-chloro-5-fluorophenyl)butanediamide
CID 113288249
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylbutyl)urea
CID 47325404

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide?
The IUPAC name of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide (CID 60848978) is 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide.
What is the SMILES notation for 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide?
The canonical SMILES for 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide is NC(=O)CC(N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide?
The InChIKey is DCGKZYFXAHGINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O2/c12-5-1-2-8(6(3-5)11(13,14)15)18-10(20)7(16)4-9(17)19/h1-3,7H,4,16H2,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide?
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide has a molecular weight of 309.68 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide is sourced from PubChem (CID 60848978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).