1-[(2-chlorobenzoyl)amino]-3-phenylurea

C14H12ClN3O2 — CID 904342

IUPAC1-[(2-chlorobenzoyl)amino]-3-phenylurea
SMILESO=C(NNC(=O)c1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C14H12ClN3O2/c15-12-9-5-4-8-11(12)13(19)17-18-14(20)16-10-6-2-1-3-7-10/h1-9H,(H,17,19)(H2,16,18,20)
InChIKeyLLYXYTDGGORQEU-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.81
Rot. Bonds2

About 1-[(2-chlorobenzoyl)amino]-3-phenylurea

1-[(2-chlorobenzoyl)amino]-3-phenylurea (PubChem CID 904342) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 1-[(2-chlorobenzoyl)amino]-3-phenylurea.

Molecular Properties

Compound Name1-[(2-chlorobenzoyl)amino]-3-phenylurea
PubChem CID904342
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name1-[(2-chlorobenzoyl)amino]-3-phenylurea
SMILESO=C(NNC(=O)c1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C14H12ClN3O2/c15-12-9-5-4-8-11(12)13(19)17-18-14(20)16-10-6-2-1-3-7-10/h1-9H,(H,17,19)(H2,16,18,20)
InChIKeyLLYXYTDGGORQEU-UHFFFAOYSA-N
XLogP2.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.81
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-[(2,6-dichlorobenzoyl)amino]-3-phenylurea
CID 134118825
1-[(2-chlorobenzoyl)amino]-3-phenylthiourea
CID 720612
1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea
CID 3526755
1-[(2-azidobenzoyl)amino]-3-phenylurea
CID 169326511
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
2,3-dichloro-N-phenylbenzamide
CID 7732866
2-(2-chlorophenyl)-2-oxo-N-phenylacetamide
CID 123578791
1-phenyl-3-[(4-phenylbenzoyl)amino]urea
CID 819364
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide
CID 168523939
4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 55832366
N-(2-anilinophenyl)-2-chlorobenzamide
CID 86018002

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorobenzoyl)amino]-3-phenylurea?
The IUPAC name of 1-[(2-chlorobenzoyl)amino]-3-phenylurea (CID 904342) is 1-[(2-chlorobenzoyl)amino]-3-phenylurea.
What is the SMILES notation for 1-[(2-chlorobenzoyl)amino]-3-phenylurea?
The canonical SMILES for 1-[(2-chlorobenzoyl)amino]-3-phenylurea is O=C(NNC(=O)c1ccccc1Cl)Nc1ccccc1.
What is the InChIKey of 1-[(2-chlorobenzoyl)amino]-3-phenylurea?
The InChIKey is LLYXYTDGGORQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-12-9-5-4-8-11(12)13(19)17-18-14(20)16-10-6-2-1-3-7-10/h1-9H,(H,17,19)(H2,16,18,20).
What are the key properties of 1-[(2-chlorobenzoyl)amino]-3-phenylurea?
1-[(2-chlorobenzoyl)amino]-3-phenylurea has a molecular weight of 289.72 g/mol, XLogP of 2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorobenzoyl)amino]-3-phenylurea is sourced from PubChem (CID 904342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).