N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide

C24H21N3O3 — CID 4507519

IUPACN-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H21N3O3/c28-22(18-10-11-18)25-21-14-12-20(13-15-21)24(30)27-26-23(29)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,12-15,18H,10-11H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyRYCWOFFAPMYWAT-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.78
Rot. Bonds5

About N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide

N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide (PubChem CID 4507519) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
PubChem CID4507519
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H21N3O3/c28-22(18-10-11-18)25-21-14-12-20(13-15-21)24(30)27-26-23(29)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,12-15,18H,10-11H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyRYCWOFFAPMYWAT-UHFFFAOYSA-N
XLogP3.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclopropanecarbonyl)-4-phenylbenzohydrazide
CID 833146
N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 26823723
N-[4-[[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4960820
4-(cyclopropanecarbonylamino)-N-(2-phenylphenyl)benzamide
CID 78767990
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17133633
trans-(1R,2R)-2-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 6547888
N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17179166
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
1-phenyl-3-[(4-phenylbenzoyl)amino]urea
CID 819364

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide (CID 4507519) is N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide is O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is RYCWOFFAPMYWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-22(18-10-11-18)25-21-14-12-20(13-15-21)24(30)27-26-23(29)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,12-15,18H,10-11H2,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 4507519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).