3-bromo-4-chloro-N-cycloheptylbenzamide

C14H17BrClNO — CID 107999241

IUPAC3-bromo-4-chloro-N-cycloheptylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H17BrClNO/c15-12-9-10(7-8-13(12)16)14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2,(H,17,18)
InChIKeyWNFOAIZAQAMYFP-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.56
Rot. Bonds2

About 3-bromo-4-chloro-N-cycloheptylbenzamide

3-bromo-4-chloro-N-cycloheptylbenzamide (PubChem CID 107999241) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-cycloheptylbenzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-cycloheptylbenzamide
PubChem CID107999241
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name3-bromo-4-chloro-N-cycloheptylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H17BrClNO/c15-12-9-10(7-8-13(12)16)14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2,(H,17,18)
InChIKeyWNFOAIZAQAMYFP-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
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3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide
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3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
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3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
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2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114025733
3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
CID 104578392
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227
4-bromo-N-cyclooctylbenzamide
CID 902872
4-bromo-N-cycloheptylbenzamide
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3-bromo-N-cyclohexyl-4-propoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-cycloheptylbenzamide?
The IUPAC name of 3-bromo-4-chloro-N-cycloheptylbenzamide (CID 107999241) is 3-bromo-4-chloro-N-cycloheptylbenzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-cycloheptylbenzamide?
The canonical SMILES for 3-bromo-4-chloro-N-cycloheptylbenzamide is O=C(NC1CCCCCC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-cycloheptylbenzamide?
The InChIKey is WNFOAIZAQAMYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-12-9-10(7-8-13(12)16)14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2,(H,17,18).
What are the key properties of 3-bromo-4-chloro-N-cycloheptylbenzamide?
3-bromo-4-chloro-N-cycloheptylbenzamide has a molecular weight of 330.65 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-cycloheptylbenzamide is sourced from PubChem (CID 107999241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).