N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide

C17H17ClF3N3O — CID 113022034

IUPACN-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)nc1
InChIInChI=1S/C17H17ClF3N3O/c1-10(2)7-16(25)23-12-4-6-15(22-9-12)24-14-5-3-11(18)8-13(14)17(19,20)21/h3-6,8-10H,7H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHKZVALGJSRLAKW-UHFFFAOYSA-N
MW371.79 g/mol
LogP5.48
Rot. Bonds5

About N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide

N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide (PubChem CID 113022034) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide
PubChem CID113022034
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC NameN-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)nc1
InChIInChI=1S/C17H17ClF3N3O/c1-10(2)7-16(25)23-12-4-6-15(22-9-12)24-14-5-3-11(18)8-13(14)17(19,20)21/h3-6,8-10H,7H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHKZVALGJSRLAKW-UHFFFAOYSA-N
XLogP5.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.79
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113022044
6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151940
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811
N-[4-[4-chloro-2-(trifluoromethyl)anilino]phenyl]propanamide
CID 112989530
3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113017723
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide
CID 113036586
N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
CID 113021415
N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide
CID 113022004
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019825
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999
3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032755

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide (CID 113022034) is N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)nc1.
What is the InChIKey of N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide?
The InChIKey is HKZVALGJSRLAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-10(2)7-16(25)23-12-4-6-15(22-9-12)24-14-5-3-11(18)8-13(14)17(19,20)21/h3-6,8-10H,7H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide?
N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 371.79 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 113022034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).