4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide

C26H24ClFN2O2 — CID 46046558

IUPAC4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide
SMILESO=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(Cl)cc2)cc1)N1CCCC1
InChIInChI=1S/C26H24ClFN2O2/c27-22-10-8-21(9-11-22)26(32)30(18-20-4-3-5-23(28)16-20)24-12-6-19(7-13-24)17-25(31)29-14-1-2-15-29/h3-13,16H,1-2,14-15,17-18H2
InChIKeyBFQMCAPACJWSOV-UHFFFAOYSA-N
MW450.94 g/mol
LogP5.49
Rot. Bonds6

About 4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide

4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide (PubChem CID 46046558) has the molecular formula C26H24ClFN2O2 and a molecular weight of 450.94 g/mol. Its IUPAC name is 4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide
PubChem CID46046558
Molecular FormulaC26H24ClFN2O2
Molecular Weight450.94 g/mol
Exact Mass450.15
IUPAC Name4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide
SMILESO=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(Cl)cc2)cc1)N1CCCC1
InChIInChI=1S/C26H24ClFN2O2/c27-22-10-8-21(9-11-22)26(32)30(18-20-4-3-5-23(28)16-20)24-12-6-19(7-13-24)17-25(31)29-14-1-2-15-29/h3-13,16H,1-2,14-15,17-18H2
InChIKeyBFQMCAPACJWSOV-UHFFFAOYSA-N
XLogP5.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.94
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]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

1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 110604596
N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide
CID 46052597
N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide
CID 46046531
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate
CID 46046679
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46052590
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46046244
2-(3-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9118318
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826
N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052561

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide (CID 46046558) is 4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide is O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(Cl)cc2)cc1)N1CCCC1.
What is the InChIKey of 4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide?
The InChIKey is BFQMCAPACJWSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O2/c27-22-10-8-21(9-11-22)26(32)30(18-20-4-3-5-23(28)16-20)24-12-6-19(7-13-24)17-25(31)29-14-1-2-15-29/h3-13,16H,1-2,14-15,17-18H2.
What are the key properties of 4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide?
4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide has a molecular weight of 450.94 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide is sourced from PubChem (CID 46046558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).