methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate

C15H12Cl2N2O3 — CID 2806337

IUPACmethyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl2N2O3/c1-22-14(20)9-3-2-4-11(7-9)18-15(21)19-13-6-5-10(16)8-12(13)17/h2-8H,1H3,(H2,18,19,21)
InChIKeyOWFAZMHCDLAVCB-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.42
Rot. Bonds3

About methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate

methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate (PubChem CID 2806337) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
PubChem CID2806337
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Namemethyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl2N2O3/c1-22-14(20)9-3-2-4-11(7-9)18-15(21)19-13-6-5-10(16)8-12(13)17/h2-8H,1H3,(H2,18,19,21)
InChIKeyOWFAZMHCDLAVCB-UHFFFAOYSA-N
XLogP4.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[(3,4-Dichlorophenyl)carbamoyl]amino}benzoic acid
CID 4102909
Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester
CID 76743
Methyl 3-{[(4-chloroanilino)carbonyl]amino}benzoate
CID 2806336
3-{[(4-Chlorophenyl)carbamoyl]amino}benzoic acid
CID 2989360
Methyl 3-[(2-chlorobenzoyl)carbamoylamino]benzoate
CID 2806346
Methyl 3-{[(2-chloroanilino)carbothioyl]amino}benzoate
CID 2806369
3-{[(3-Chlorophenyl)carbamoyl]amino}benzoic acid
CID 2811511
Methyl 3-[(4-chlorobenzoyl)carbamoylamino]benzoate
CID 2806347
Methyl 3-{[(3,4-dichloroanilino)carbothioyl]amino}benzoate
CID 2806370
Methyl 3-(acetylamino)-4-chlorobenzoate
CID 820781
Methyl 3-(carbamoylamino)benzoate
CID 2822841
Methyl 5-[(anilinocarbonyl)amino]-2-chlorobenzoate
CID 967098

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate (CID 2806337) is methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate is COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate?
The InChIKey is OWFAZMHCDLAVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-22-14(20)9-3-2-4-11(7-9)18-15(21)19-13-6-5-10(16)8-12(13)17/h2-8H,1H3,(H2,18,19,21).
What are the key properties of methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate?
methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate has a molecular weight of 339.18 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 2806337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).