N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide

C23H22N2O3 — CID 113063434

IUPACN-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-18(26)25(17-16-24-23(27)19-10-4-2-5-11-19)21-14-8-9-15-22(21)28-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3,(H,24,27)
InChIKeyZBKOMSJWZYQPHA-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.26
Rot. Bonds7

About N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide

N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide (PubChem CID 113063434) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
PubChem CID113063434
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-18(26)25(17-16-24-23(27)19-10-4-2-5-11-19)21-14-8-9-15-22(21)28-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3,(H,24,27)
InChIKeyZBKOMSJWZYQPHA-UHFFFAOYSA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate
CID 113064040
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
CID 113059178
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279
N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
CID 113063901
methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061889
N-[2-(N-acetyl-2-bromoanilino)ethyl]-3-methoxybenzamide
CID 113062736
methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113061891
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
CID 113060483
2-(N-acetyl-2-phenoxyanilino)-N-phenylacetamide
CID 113179233

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide?
The IUPAC name of N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide (CID 113063434) is N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide is CC(=O)N(CCNC(=O)c1ccccc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide?
The InChIKey is ZBKOMSJWZYQPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-18(26)25(17-16-24-23(27)19-10-4-2-5-11-19)21-14-8-9-15-22(21)28-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3,(H,24,27).
What are the key properties of N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide?
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide is sourced from PubChem (CID 113063434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).