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

C22H19ClN2O2 — CID 44578955

IUPACN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O2/c23-19-13-11-17(12-14-19)21(16-7-3-1-4-8-16)25-20(26)15-24-22(27)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,27)(H,25,26)
InChIKeyBUDREMAUSZLRFD-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.98
Rot. Bonds6

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

N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (PubChem CID 44578955) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
PubChem CID44578955
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O2/c23-19-13-11-17(12-14-19)21(16-7-3-1-4-8-16)25-20(26)15-24-22(27)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,27)(H,25,26)
InChIKeyBUDREMAUSZLRFD-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (CID 44578955) is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is BUDREMAUSZLRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c23-19-13-11-17(12-14-19)21(16-7-3-1-4-8-16)25-20(26)15-24-22(27)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 378.86 g/mol, XLogP of 3.98, 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]benzamide is sourced from PubChem (CID 44578955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).