3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate

C15H12ClN2O3- — CID 7657756

IUPAC3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate
SMILESCc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c1-9-2-3-10(14(19)20)8-13(9)18-15(21)17-12-6-4-11(16)5-7-12/h2-8H,1H3,(H,19,20)(H2,17,18,21)/p-1
InChIKeyTZQQIVZBPZUVLT-UHFFFAOYSA-M
MW303.73 g/mol
LogP2.66
Rot. Bonds3

About 3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate

3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate (PubChem CID 7657756) has the molecular formula C15H12ClN2O3- and a molecular weight of 303.73 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate.

Molecular Properties

Compound Name3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate
PubChem CID7657756
Molecular FormulaC15H12ClN2O3-
Molecular Weight303.73 g/mol
Exact Mass303.05
IUPAC Name3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate
SMILESCc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c1-9-2-3-10(14(19)20)8-13(9)18-15(21)17-12-6-4-11(16)5-7-12/h2-8H,1H3,(H,19,20)(H2,17,18,21)/p-1
InChIKeyTZQQIVZBPZUVLT-UHFFFAOYSA-M
XLogP2.66
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea
CID 62103362
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide
CID 39186247
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180530
methyl 3-[(3-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 2228342
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
4-methyl-3-(propanoylamino)benzoate
CID 4745923
3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate
CID 6982314
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1,3-bis[3-(4-chloroanilino)sulfanyl-4-methylphenyl]urea
CID 144610213

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate?
The IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate (CID 7657756) is 3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate.
What is the SMILES notation for 3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate?
The canonical SMILES for 3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate is Cc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate?
The InChIKey is TZQQIVZBPZUVLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-2-3-10(14(19)20)8-13(9)18-15(21)17-12-6-4-11(16)5-7-12/h2-8H,1H3,(H,19,20)(H2,17,18,21)/p-1.
What are the key properties of 3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate?
3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate has a molecular weight of 303.73 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate is sourced from PubChem (CID 7657756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).