4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide

C12H12F3N3O — CID 43703864

IUPAC4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide
SMILESN#Cc1ccc(NC(=O)CCCN)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)9-6-8(7-17)3-4-10(9)18-11(19)2-1-5-16/h3-4,6H,1-2,5,16H2,(H,18,19)
InChIKeyTYKVCANFUQFASC-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.25
Rot. Bonds4

About 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide

4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide (PubChem CID 43703864) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide
PubChem CID43703864
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide
SMILESN#Cc1ccc(NC(=O)CCCN)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)9-6-8(7-17)3-4-10(9)18-11(19)2-1-5-16/h3-4,6H,1-2,5,16H2,(H,18,19)
InChIKeyTYKVCANFUQFASC-UHFFFAOYSA-N
XLogP2.25
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79192157
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80543421
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 76888025
6-amino-N-(4-cyano-2-nitrophenyl)hexanamide
CID 78965691
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide
CID 64992328
1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81179376
N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide
CID 62637842
5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 60705604
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688499
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16511735

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide (CID 43703864) is 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide is N#Cc1ccc(NC(=O)CCCN)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is TYKVCANFUQFASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)9-6-8(7-17)3-4-10(9)18-11(19)2-1-5-16/h3-4,6H,1-2,5,16H2,(H,18,19).
What are the key properties of 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide?
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 271.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 43703864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).