N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide

C27H22N4O3 — CID 139684594

IUPACN-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C27H22N4O3/c32-25(28-19-11-3-1-4-12-19)21-15-7-9-17-23(21)30-27(34)31-24-18-10-8-16-22(24)26(33)29-20-13-5-2-6-14-20/h1-18H,(H,28,32)(H,29,33)(H2,30,31,34)
InChIKeyLKYRWSUREHIHDS-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.84
Rot. Bonds6

About N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide

N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide (PubChem CID 139684594) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
PubChem CID139684594
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC NameN-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C27H22N4O3/c32-25(28-19-11-3-1-4-12-19)21-15-7-9-17-23(21)30-27(34)31-24-18-10-8-16-22(24)26(33)29-20-13-5-2-6-14-20/h1-18H,(H,28,32)(H,29,33)(H2,30,31,34)
InChIKeyLKYRWSUREHIHDS-UHFFFAOYSA-N
XLogP5.84
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
2-hydrazinyl-N-phenylbenzamide
CID 12569370
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
2-(butanoylamino)-N-phenylbenzamide
CID 676008
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 4941925
2-hydroxy-N-phenylbenzamide
CID 157209959
ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate
CID 12735876
N-butyl-2-(phenylcarbamoylamino)benzamide
CID 19629104
2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180
3,5-dichloro-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17133465

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide?
The IUPAC name of N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide (CID 139684594) is N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide is O=C(Nc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide?
The InChIKey is LKYRWSUREHIHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c32-25(28-19-11-3-1-4-12-19)21-15-7-9-17-23(21)30-27(34)31-24-18-10-8-16-22(24)26(33)29-20-13-5-2-6-14-20/h1-18H,(H,28,32)(H,29,33)(H2,30,31,34).
What are the key properties of N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide?
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide has a molecular weight of 450.50 g/mol, XLogP of 5.84, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 139684594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).