2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide

C22H19ClFN3O2 — CID 175848672

IUPAC2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(c1ccc(C(N)=O)cc1Cl)c1c(F)cccc1C(=O)NCc1cccnc1
InChIInChI=1S/C22H19ClFN3O2/c1-13(16-8-7-15(21(25)28)10-18(16)23)20-17(5-2-6-19(20)24)22(29)27-12-14-4-3-9-26-11-14/h2-11,13H,12H2,1H3,(H2,25,28)(H,27,29)
InChIKeyKPQFTRZQCCZJCS-UHFFFAOYSA-N
MW411.86 g/mol
LogP4.05
Rot. Bonds6

About 2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide

2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 175848672) has the molecular formula C22H19ClFN3O2 and a molecular weight of 411.86 g/mol. Its IUPAC name is 2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID175848672
Molecular FormulaC22H19ClFN3O2
Molecular Weight411.86 g/mol
Exact Mass411.11
IUPAC Name2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(c1ccc(C(N)=O)cc1Cl)c1c(F)cccc1C(=O)NCc1cccnc1
InChIInChI=1S/C22H19ClFN3O2/c1-13(16-8-7-15(21(25)28)10-18(16)23)20-17(5-2-6-19(20)24)22(29)27-12-14-4-3-9-26-11-14/h2-11,13H,12H2,1H3,(H2,25,28)(H,27,29)
InChIKeyKPQFTRZQCCZJCS-UHFFFAOYSA-N
XLogP4.05
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.86
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide 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

3-chloro-4-[(1S)-1-[(3-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]ethyl]benzamide
CID 166870479
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 61095317
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
4-N-(3-chloro-4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047685
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide (CID 175848672) is 2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide is CC(c1ccc(C(N)=O)cc1Cl)c1c(F)cccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is KPQFTRZQCCZJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O2/c1-13(16-8-7-15(21(25)28)10-18(16)23)20-17(5-2-6-19(20)24)22(29)27-12-14-4-3-9-26-11-14/h2-11,13H,12H2,1H3,(H2,25,28)(H,27,29).
What are the key properties of 2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 411.86 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-carbamoyl-2-chlorophenyl)ethyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 175848672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).