N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide

C17H18ClFN2O — CID 71851042

IUPACN-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)NCCc1c(F)cccc1Cl
InChIInChI=1S/C17H18ClFN2O/c18-15-7-4-8-16(19)14(15)10-12-21-17(22)9-3-6-13-5-1-2-11-20-13/h1-2,4-5,7-8,11H,3,6,9-10,12H2,(H,21,22)
InChIKeyAJLSARVMQUSIOK-UHFFFAOYSA-N
MW320.79 g/mol
LogP3.56
Rot. Bonds7

About N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide

N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide (PubChem CID 71851042) has the molecular formula C17H18ClFN2O and a molecular weight of 320.79 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide
PubChem CID71851042
Molecular FormulaC17H18ClFN2O
Molecular Weight320.79 g/mol
Exact Mass320.11
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)NCCc1c(F)cccc1Cl
InChIInChI=1S/C17H18ClFN2O/c18-15-7-4-8-16(19)14(15)10-12-21-17(22)9-3-6-13-5-1-2-11-20-13/h1-2,4-5,7-8,11H,3,6,9-10,12H2,(H,21,22)
InChIKeyAJLSARVMQUSIOK-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-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

4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one
CID 105082607
N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 71917928
4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 86920418
5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
CID 123323650
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide
CID 71967911
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
N-(2,6-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110389270
N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide
CID 94688694
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide (CID 71851042) is N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide is O=C(CCCc1ccccn1)NCCc1c(F)cccc1Cl.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide?
The InChIKey is AJLSARVMQUSIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c18-15-7-4-8-16(19)14(15)10-12-21-17(22)9-3-6-13-5-1-2-11-20-13/h1-2,4-5,7-8,11H,3,6,9-10,12H2,(H,21,22).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide?
N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide has a molecular weight of 320.79 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 71851042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).