[(4-chlorobenzoyl)amino] 2-bromobenzoate

C14H9BrClNO3 — CID 1348789

IUPAC[(4-chlorobenzoyl)amino] 2-bromobenzoate
SMILESO=C(NOC(=O)c1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrClNO3/c15-12-4-2-1-3-11(12)14(19)20-17-13(18)9-5-7-10(16)8-6-9/h1-8H,(H,17,18)
InChIKeyXBZVDYJKCJLDSB-UHFFFAOYSA-N
MW354.59 g/mol
LogP3.60
Rot. Bonds2

About [(4-chlorobenzoyl)amino] 2-bromobenzoate

[(4-chlorobenzoyl)amino] 2-bromobenzoate (PubChem CID 1348789) has the molecular formula C14H9BrClNO3 and a molecular weight of 354.59 g/mol. Its IUPAC name is [(4-chlorobenzoyl)amino] 2-bromobenzoate.

Molecular Properties

Compound Name[(4-chlorobenzoyl)amino] 2-bromobenzoate
PubChem CID1348789
Molecular FormulaC14H9BrClNO3
Molecular Weight354.59 g/mol
Exact Mass352.95
IUPAC Name[(4-chlorobenzoyl)amino] 2-bromobenzoate
SMILESO=C(NOC(=O)c1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrClNO3/c15-12-4-2-1-3-11(12)14(19)20-17-13(18)9-5-7-10(16)8-6-9/h1-8H,(H,17,18)
InChIKeyXBZVDYJKCJLDSB-UHFFFAOYSA-N
XLogP3.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 4990600
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CID 3025743
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CID 2804317
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CID 9227584
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CID 9227655
CID 9227655
CID 26062082
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CID 81510912
CID 81510912
CID 103875522
CID 103875522
CID 880026
CID 880026
CID 1047624
CID 1047624
CID 1356962
CID 1356962
CID 1372687
CID 1372687

Frequently Asked Questions

What is the IUPAC name of [(4-chlorobenzoyl)amino] 2-bromobenzoate?
The IUPAC name of [(4-chlorobenzoyl)amino] 2-bromobenzoate (CID 1348789) is [(4-chlorobenzoyl)amino] 2-bromobenzoate.
What is the SMILES notation for [(4-chlorobenzoyl)amino] 2-bromobenzoate?
The canonical SMILES for [(4-chlorobenzoyl)amino] 2-bromobenzoate is O=C(NOC(=O)c1ccccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorobenzoyl)amino] 2-bromobenzoate?
The InChIKey is XBZVDYJKCJLDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO3/c15-12-4-2-1-3-11(12)14(19)20-17-13(18)9-5-7-10(16)8-6-9/h1-8H,(H,17,18).
What are the key properties of [(4-chlorobenzoyl)amino] 2-bromobenzoate?
[(4-chlorobenzoyl)amino] 2-bromobenzoate has a molecular weight of 354.59 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorobenzoyl)amino] 2-bromobenzoate is sourced from PubChem (CID 1348789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).