N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide

C22H18ClFN2O2 — CID 24899993

IUPACN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClFN2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
InChIKeyROCIAHLXAQYEAV-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.11
Rot. Bonds6

About N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 24899993) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID24899993
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClFN2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
InChIKeyROCIAHLXAQYEAV-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide (CID 24899993) is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is ROCIAHLXAQYEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27).
What are the key properties of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 396.85 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 24899993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).