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

C16H15ClF3N3O — CID 113022004

IUPACN-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C16H15ClF3N3O/c1-2-3-15(24)23-11-5-7-14(21-9-11)22-10-4-6-13(17)12(8-10)16(18,19)20/h4-9H,2-3H2,1H3,(H,21,22)(H,23,24)
InChIKeyVKODYOMAXPFUKE-UHFFFAOYSA-N
MW357.76 g/mol
LogP5.24
Rot. Bonds5

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

N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide (PubChem CID 113022004) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide
PubChem CID113022004
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC NameN-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C16H15ClF3N3O/c1-2-3-15(24)23-11-5-7-14(21-9-11)22-10-4-6-13(17)12(8-10)16(18,19)20/h4-9H,2-3H2,1H3,(H,21,22)(H,23,24)
InChIKeyVKODYOMAXPFUKE-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

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Related Compounds

N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113022012
N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
CID 113022156
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
CID 113035472
N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016196
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
CID 113033607
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153089
methyl 4-[[5-(butanoylamino)-2-pyridinyl]amino]benzoate
CID 113020725
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide
CID 109032309
N-[4-(3,4-dichloroanilino)phenyl]butanamide
CID 112989592
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide
CID 113022034
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153417

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide?
The IUPAC name of N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide (CID 113022004) is N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide.
What is the SMILES notation for N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide?
The canonical SMILES for N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1.
What is the InChIKey of N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide?
The InChIKey is VKODYOMAXPFUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c1-2-3-15(24)23-11-5-7-14(21-9-11)22-10-4-6-13(17)12(8-10)16(18,19)20/h4-9H,2-3H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide?
N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-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-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide is sourced from PubChem (CID 113022004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).