N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide

C18H17ClF3N3O2 — CID 110625480

IUPACN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide
SMILESO=C(CCCc1cccnc1)NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3N3O2/c19-15-7-6-13(9-14(15)18(20,21)22)25-17(27)11-24-16(26)5-1-3-12-4-2-8-23-10-12/h2,4,6-10H,1,3,5,11H2,(H,24,26)(H,25,27)
InChIKeyBBNAKRKYKUZKGZ-UHFFFAOYSA-N
MW399.80 g/mol
LogP3.83
Rot. Bonds7

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide (PubChem CID 110625480) has the molecular formula C18H17ClF3N3O2 and a molecular weight of 399.80 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide
PubChem CID110625480
Molecular FormulaC18H17ClF3N3O2
Molecular Weight399.80 g/mol
Exact Mass399.10
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide
SMILESO=C(CCCc1cccnc1)NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3N3O2/c19-15-7-6-13(9-14(15)18(20,21)22)25-17(27)11-24-16(26)5-1-3-12-4-2-8-23-10-12/h2,4,6-10H,1,3,5,11H2,(H,24,26)(H,25,27)
InChIKeyBBNAKRKYKUZKGZ-UHFFFAOYSA-N
XLogP3.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.80
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide 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

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 3818400
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide
CID 141052646
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3,3-dimethyl-2-oxobutyl)butanediamide
CID 95753500
N-benzyl-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 108945335
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 26776083
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 26022207
3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052
N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide
CID 51091959
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-2-ylmethylamino)acetamide
CID 108999180
[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]methylcarbamic acid
CID 68683053

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide (CID 110625480) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide is O=C(CCCc1cccnc1)NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide?
The InChIKey is BBNAKRKYKUZKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O2/c19-15-7-6-13(9-14(15)18(20,21)22)25-17(27)11-24-16(26)5-1-3-12-4-2-8-23-10-12/h2,4,6-10H,1,3,5,11H2,(H,24,26)(H,25,27).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide?
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide has a molecular weight of 399.80 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110625480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).