1-phenyl-3-[(4-phenylbenzoyl)amino]urea

C20H17N3O2 — CID 819364

IUPAC1-phenyl-3-[(4-phenylbenzoyl)amino]urea
SMILESO=C(NNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C20H17N3O2/c24-19(22-23-20(25)21-18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H,(H,22,24)(H2,21,23,25)
InChIKeyAKKDYTGVYRPJKH-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.82
Rot. Bonds3

About 1-phenyl-3-[(4-phenylbenzoyl)amino]urea

1-phenyl-3-[(4-phenylbenzoyl)amino]urea (PubChem CID 819364) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-phenyl-3-[(4-phenylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(4-phenylbenzoyl)amino]urea
PubChem CID819364
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name1-phenyl-3-[(4-phenylbenzoyl)amino]urea
SMILESO=C(NNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C20H17N3O2/c24-19(22-23-20(25)21-18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H,(H,22,24)(H2,21,23,25)
InChIKeyAKKDYTGVYRPJKH-UHFFFAOYSA-N
XLogP3.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea
CID 24819044
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
1-benzamido-3-(3-methylphenyl)urea
CID 19798346
1-[(3-fluorobenzoyl)amino]-3-phenylurea
CID 3412170
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
1-[(2-chlorobenzoyl)amino]-3-phenylurea
CID 904342
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
CID 55540187
1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea
CID 5186503

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(4-phenylbenzoyl)amino]urea?
The IUPAC name of 1-phenyl-3-[(4-phenylbenzoyl)amino]urea (CID 819364) is 1-phenyl-3-[(4-phenylbenzoyl)amino]urea.
What is the SMILES notation for 1-phenyl-3-[(4-phenylbenzoyl)amino]urea?
The canonical SMILES for 1-phenyl-3-[(4-phenylbenzoyl)amino]urea is O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(4-phenylbenzoyl)amino]urea?
The InChIKey is AKKDYTGVYRPJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19(22-23-20(25)21-18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H,(H,22,24)(H2,21,23,25).
What are the key properties of 1-phenyl-3-[(4-phenylbenzoyl)amino]urea?
1-phenyl-3-[(4-phenylbenzoyl)amino]urea has a molecular weight of 331.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(4-phenylbenzoyl)amino]urea is sourced from PubChem (CID 819364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).