methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate

C15H12BrClN2O3 — CID 11406465

IUPACmethyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H12BrClN2O3/c1-22-14(20)12-6-5-10(17)8-13(12)19-15(21)18-11-4-2-3-9(16)7-11/h2-8H,1H3,(H2,18,19,21)
InChIKeyUVSNUAIJNZDNLC-UHFFFAOYSA-N
MW383.63 g/mol
LogP4.53
Rot. Bonds3

About methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate

methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate (PubChem CID 11406465) has the molecular formula C15H12BrClN2O3 and a molecular weight of 383.63 g/mol. Its IUPAC name is methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate
PubChem CID11406465
Molecular FormulaC15H12BrClN2O3
Molecular Weight383.63 g/mol
Exact Mass381.97
IUPAC Namemethyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H12BrClN2O3/c1-22-14(20)12-6-5-10(17)8-13(12)19-15(21)18-11-4-2-3-9(16)7-11/h2-8H,1H3,(H2,18,19,21)
InChIKeyUVSNUAIJNZDNLC-UHFFFAOYSA-N
XLogP4.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Carboxyphenyl)-3-(3-chlorophenyl)urea
CID 853792
2-(3-(3-Bromophenyl)ureido)-4-chlorobenzoic acid
CID 9799478
Methyl 2-[(anilinocarbonyl)amino]-5-bromobenzoate
CID 939786
Methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-chlorobenzoate
CID 24990740
Methyl 2-(4-chlorobenzamido)benzoate
CID 779970
2-(3-Bromobenzoylamino)-4-chlorobenzoic acid
CID 4323128
Methyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate
CID 25022701
Methyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate
CID 2798816
4-Chloro-2-[3-(3-fluoro-phenyl)-ureido]-benzoic acid
CID 9857805
4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic Acid
CID 10001987
4-Chloro-2-[3-(4-chloro-phenyl)-ureido]-benzoic acid
CID 10087658
2-[3-(4-Bromo-phenyl)-ureido]-4-chloro-benzoic acid
CID 10109670

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate?
The IUPAC name of methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate (CID 11406465) is methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate.
What is the SMILES notation for methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate?
The canonical SMILES for methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1.
What is the InChIKey of methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate?
The InChIKey is UVSNUAIJNZDNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O3/c1-22-14(20)12-6-5-10(17)8-13(12)19-15(21)18-11-4-2-3-9(16)7-11/h2-8H,1H3,(H2,18,19,21).
What are the key properties of methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate?
methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate has a molecular weight of 383.63 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoate is sourced from PubChem (CID 11406465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).