N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide

C16H15ClF3N3O — CID 113035472

IUPACN-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C16H15ClF3N3O/c1-2-3-15(24)23-14-7-5-11(9-21-14)22-13-8-10(16(18,19)20)4-6-12(13)17/h4-9,22H,2-3H2,1H3,(H,21,23,24)
InChIKeyPHBSAQNKSTUWDM-UHFFFAOYSA-N
MW357.76 g/mol
LogP5.24
Rot. Bonds5

About N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide

N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide (PubChem CID 113035472) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
PubChem CID113035472
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC NameN-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C16H15ClF3N3O/c1-2-3-15(24)23-14-7-5-11(9-21-14)22-13-8-10(16(18,19)20)4-6-12(13)17/h4-9,22H,2-3H2,1H3,(H,21,23,24)
InChIKeyPHBSAQNKSTUWDM-UHFFFAOYSA-N
XLogP5.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.76
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide 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

N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020838
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113035477
N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide
CID 113022004
N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide
CID 113033187
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200549
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183964
6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160757
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-fluorophenyl)propanamide
CID 109037666
N-[5-(2-chloroanilino)-2-pyridinyl]propanamide
CID 113033183
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide?
The IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide (CID 113035472) is N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide.
What is the SMILES notation for N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide?
The canonical SMILES for N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide is CCCC(=O)Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide?
The InChIKey is PHBSAQNKSTUWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c1-2-3-15(24)23-14-7-5-11(9-21-14)22-13-8-10(16(18,19)20)4-6-12(13)17/h4-9,22H,2-3H2,1H3,(H,21,23,24).
What are the key properties of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide?
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide has a molecular weight of 357.76 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide is sourced from PubChem (CID 113035472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).