1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea

C15H14ClN3O3 — CID 4825619

IUPAC1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
SMILESCOc1ccc(C(=O)NNC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClN3O3/c1-22-11-8-6-10(7-9-11)14(20)18-19-15(21)17-13-5-3-2-4-12(13)16/h2-9H,1H3,(H,18,20)(H2,17,19,21)
InChIKeyDQIFQHYYRCPLBM-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.82
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea

1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea (PubChem CID 4825619) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
PubChem CID4825619
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
SMILESCOc1ccc(C(=O)NNC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClN3O3/c1-22-11-8-6-10(7-9-11)14(20)18-19-15(21)17-13-5-3-2-4-12(13)16/h2-9H,1H3,(H,18,20)(H2,17,19,21)
InChIKeyDQIFQHYYRCPLBM-UHFFFAOYSA-N
XLogP2.82
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.82
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

1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 5140613
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea
CID 4850582
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-[(2R)-1-(2-chloroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 40973294
4-methoxy-N-[(1R)-2,2,2-trichloro-1-[(2-chlorophenyl)carbamothioylamino]ethyl]benzamide
CID 1380239
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 55816767
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
2-N',6-N'-bis(4-methoxybenzoyl)pyridine-2,6-dicarbohydrazide
CID 43070155
1-(2-chlorophenyl)-3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]urea
CID 110191870

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea (CID 4825619) is 1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea is COc1ccc(C(=O)NNC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea?
The InChIKey is DQIFQHYYRCPLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-22-11-8-6-10(7-9-11)14(20)18-19-15(21)17-13-5-3-2-4-12(13)16/h2-9H,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea?
1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea has a molecular weight of 319.75 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea is sourced from PubChem (CID 4825619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).