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

C18H19ClF3N3O — CID 113022012

IUPACN-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C18H19ClF3N3O/c1-3-11(4-2)17(26)25-13-6-8-16(23-10-13)24-12-5-7-15(19)14(9-12)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyMQMFOMHFFYIDOO-UHFFFAOYSA-N
MW385.82 g/mol
LogP5.87
Rot. Bonds6

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

N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide (PubChem CID 113022012) has the molecular formula C18H19ClF3N3O and a molecular weight of 385.82 g/mol. Its IUPAC name is N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide
PubChem CID113022012
Molecular FormulaC18H19ClF3N3O
Molecular Weight385.82 g/mol
Exact Mass385.12
IUPAC NameN-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C18H19ClF3N3O/c1-3-11(4-2)17(26)25-13-6-8-16(23-10-13)24-12-5-7-15(19)14(9-12)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyMQMFOMHFFYIDOO-UHFFFAOYSA-N
XLogP5.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.82
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide
CID 113022004
2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
CID 113021263
2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016204
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113020858
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113018058
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153089
2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019893
2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903437
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153417
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide?
The IUPAC name of N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide (CID 113022012) is N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide.
What is the SMILES notation for N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide?
The canonical SMILES for N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide is CCC(CC)C(=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]-2-ethylbutanamide?
The InChIKey is MQMFOMHFFYIDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O/c1-3-11(4-2)17(26)25-13-6-8-16(23-10-13)24-12-5-7-15(19)14(9-12)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide?
N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide has a molecular weight of 385.82 g/mol, XLogP of 5.87, 6 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]-2-ethylbutanamide is sourced from PubChem (CID 113022012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).