3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide

C16H15BrClNO2 — CID 63526145

IUPAC3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H15BrClNO2/c1-2-8-21-15-7-6-13(18)10-14(15)19-16(20)11-4-3-5-12(17)9-11/h3-7,9-10H,2,8H2,1H3,(H,19,20)
InChIKeyBCDOHIKWPZHCJG-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.14
Rot. Bonds5

About 3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide

3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide (PubChem CID 63526145) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
PubChem CID63526145
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H15BrClNO2/c1-2-8-21-15-7-6-13(18)10-14(15)19-16(20)11-4-3-5-12(17)9-11/h3-7,9-10H,2,8H2,1H3,(H,19,20)
InChIKeyBCDOHIKWPZHCJG-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.66
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide?
The IUPAC name of 3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide (CID 63526145) is 3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide is CCCOc1ccc(Cl)cc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide?
The InChIKey is BCDOHIKWPZHCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-2-8-21-15-7-6-13(18)10-14(15)19-16(20)11-4-3-5-12(17)9-11/h3-7,9-10H,2,8H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide?
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide has a molecular weight of 368.66 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide is sourced from PubChem (CID 63526145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).