2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid

C14H10BrClN2O3 — CID 10109670

IUPAC2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid
SMILESO=C(Nc1ccc(Br)cc1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H10BrClN2O3/c15-8-1-4-10(5-2-8)17-14(21)18-12-7-9(16)3-6-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyFCZJGSJJCCOPTN-UHFFFAOYSA-N
MW369.60 g/mol
LogP4.44
Rot. Bonds3

About 2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid

2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid (PubChem CID 10109670) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid
PubChem CID10109670
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Name2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid
SMILESO=C(Nc1ccc(Br)cc1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H10BrClN2O3/c15-8-1-4-10(5-2-8)17-14(21)18-12-7-9(16)3-6-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyFCZJGSJJCCOPTN-UHFFFAOYSA-N
XLogP4.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid?
The IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid (CID 10109670) is 2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid?
The canonical SMILES for 2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid is O=C(Nc1ccc(Br)cc1)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid?
The InChIKey is FCZJGSJJCCOPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c15-8-1-4-10(5-2-8)17-14(21)18-12-7-9(16)3-6-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid?
2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid has a molecular weight of 369.60 g/mol, XLogP of 4.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)carbamoylamino]-4-chlorobenzoic acid is sourced from PubChem (CID 10109670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).