N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide

C28H25N3O3 — CID 4942074

IUPACN-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C28H25N3O3/c1-20(34-24-12-6-3-7-13-24)27(32)31-26-15-9-8-14-25(26)28(33)30-23-18-16-22(17-19-23)29-21-10-4-2-5-11-21/h2-20,29H,1H3,(H,30,33)(H,31,32)
InChIKeyRYAPXFVSVPQLPW-UHFFFAOYSA-N
MW451.53 g/mol
LogP6.09
Rot. Bonds8

About N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide

N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide (PubChem CID 4942074) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide
PubChem CID4942074
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC NameN-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C28H25N3O3/c1-20(34-24-12-6-3-7-13-24)27(32)31-26-15-9-8-14-25(26)28(33)30-23-18-16-22(17-19-23)29-21-10-4-2-5-11-21/h2-20,29H,1H3,(H,30,33)(H,31,32)
InChIKeyRYAPXFVSVPQLPW-UHFFFAOYSA-N
XLogP6.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7312062
N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4944520
N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 4944912
N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17142457
N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
CID 4939976
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
2-[[(2S)-2-phenoxypropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 29448293
N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide
CID 42426923
N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 4944490
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
2-anilino-N-(4-butan-2-yloxyphenyl)benzamide
CID 54784852

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide (CID 4942074) is N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide is CC(Oc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide?
The InChIKey is RYAPXFVSVPQLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-20(34-24-12-6-3-7-13-24)27(32)31-26-15-9-8-14-25(26)28(33)30-23-18-16-22(17-19-23)29-21-10-4-2-5-11-21/h2-20,29H,1H3,(H,30,33)(H,31,32).
What are the key properties of N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide?
N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide has a molecular weight of 451.53 g/mol, XLogP of 6.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide is sourced from PubChem (CID 4942074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).