N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide

C23H22N4O3 — CID 55847462

IUPACN-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)ccc1C
InChIInChI=1S/C23H22N4O3/c1-15-8-11-20(14-21(15)24-16(2)28)25-22(29)17-9-12-19(13-10-17)27-23(30)26-18-6-4-3-5-7-18/h3-14H,1-2H3,(H,24,28)(H,25,29)(H2,26,27,30)
InChIKeyIRHDHQYJZQIDSO-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.85
Rot. Bonds5

About N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide

N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide (PubChem CID 55847462) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
PubChem CID55847462
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)ccc1C
InChIInChI=1S/C23H22N4O3/c1-15-8-11-20(14-21(15)24-16(2)28)25-22(29)17-9-12-19(13-10-17)27-23(30)26-18-6-4-3-5-7-18/h3-14H,1-2H3,(H,24,28)(H,25,29)(H2,26,27,30)
InChIKeyIRHDHQYJZQIDSO-UHFFFAOYSA-N
XLogP4.85
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
CID 55700509
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
CID 139878369
N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
CID 47058047
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide
CID 141480879
3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide
CID 119049757
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
2-acetamido-5-(phenylcarbamoylamino)benzoic acid
CID 3020564
N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55766108

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide (CID 55847462) is N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide is CC(=O)Nc1cc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide?
The InChIKey is IRHDHQYJZQIDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-8-11-20(14-21(15)24-16(2)28)25-22(29)17-9-12-19(13-10-17)27-23(30)26-18-6-4-3-5-7-18/h3-14H,1-2H3,(H,24,28)(H,25,29)(H2,26,27,30).
What are the key properties of N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide?
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide has a molecular weight of 402.45 g/mol, XLogP of 4.85, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 55847462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).