methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate

C15H13ClN2O3 — CID 43404884

IUPACmethyl 3-[(2-chlorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O3/c1-21-14(19)10-5-4-6-11(9-10)17-15(20)18-13-8-3-2-7-12(13)16/h2-9H,1H3,(H2,17,18,20)
InChIKeyIBEQZFFNRXWNIC-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.77
Rot. Bonds3

About methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate

methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate (PubChem CID 43404884) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-chlorophenyl)carbamoylamino]benzoate
PubChem CID43404884
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Namemethyl 3-[(2-chlorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O3/c1-21-14(19)10-5-4-6-11(9-10)17-15(20)18-13-8-3-2-7-12(13)16/h2-9H,1H3,(H2,17,18,20)
InChIKeyIBEQZFFNRXWNIC-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-iodophenyl)carbamoylamino]benzoate
CID 108869084
methyl 4-chloro-3-(phenylcarbamoylamino)benzoate
CID 110423296
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
methyl 3-[[5-(2-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199140
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298
methyl 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoylamino]benzoate
CID 108992359
methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate
CID 108987050
methyl 3-[(3-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 2228342
[3-[(2-chlorophenyl)carbamoylamino]phenyl] N-methylcarbamate
CID 134123011
ethyl 3-[(2-chlorophenyl)carbamothioylamino]benzoate
CID 17284846
methyl 3-[[4-[(2-chlorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109316787
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate (CID 43404884) is methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate is COC(=O)c1cccc(NC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate?
The InChIKey is IBEQZFFNRXWNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-21-14(19)10-5-4-6-11(9-10)17-15(20)18-13-8-3-2-7-12(13)16/h2-9H,1H3,(H2,17,18,20).
What are the key properties of methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate?
methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate has a molecular weight of 304.73 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 43404884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).