N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide

C29H26N2O2 — CID 101287993

IUPACN-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1ccccc1Cc1ccccc1N(C(C)=O)c1ccccc1
InChIInChI=1S/C29H26N2O2/c1-22(32)30(26-15-5-3-6-16-26)28-19-11-9-13-24(28)21-25-14-10-12-20-29(25)31(23(2)33)27-17-7-4-8-18-27/h3-20H,21H2,1-2H3
InChIKeyAXPHJWRIOROVEC-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.65
Rot. Bonds6

About N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide

N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide (PubChem CID 101287993) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide
PubChem CID101287993
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC NameN-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1ccccc1Cc1ccccc1N(C(C)=O)c1ccccc1
InChIInChI=1S/C29H26N2O2/c1-22(32)30(26-15-5-3-6-16-26)28-19-11-9-13-24(28)21-25-14-10-12-20-29(25)31(23(2)33)27-17-7-4-8-18-27/h3-20H,21H2,1-2H3
InChIKeyAXPHJWRIOROVEC-UHFFFAOYSA-N
XLogP6.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide?
The IUPAC name of N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide (CID 101287993) is N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide.
What is the SMILES notation for N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide?
The canonical SMILES for N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1ccccc1Cc1ccccc1N(C(C)=O)c1ccccc1.
What is the InChIKey of N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide?
The InChIKey is AXPHJWRIOROVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-22(32)30(26-15-5-3-6-16-26)28-19-11-9-13-24(28)21-25-14-10-12-20-29(25)31(23(2)33)27-17-7-4-8-18-27/h3-20H,21H2,1-2H3.
What are the key properties of N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide?
N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide has a molecular weight of 434.54 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(N-acetylanilino)phenyl]methyl]phenyl]-N-phenylacetamide is sourced from PubChem (CID 101287993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).