3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide

C12H13BrClNO — CID 103988581

IUPAC3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
SMILESO=C(NCC1CCC1)c1cccc(Br)c1Cl
InChIInChI=1S/C12H13BrClNO/c13-10-6-2-5-9(11(10)14)12(16)15-7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H,15,16)
InChIKeyNRXONKIFKAOENU-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.63
Rot. Bonds3

About 3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide

3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide (PubChem CID 103988581) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
PubChem CID103988581
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC Name3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
SMILESO=C(NCC1CCC1)c1cccc(Br)c1Cl
InChIInChI=1S/C12H13BrClNO/c13-10-6-2-5-9(11(10)14)12(16)15-7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H,15,16)
InChIKeyNRXONKIFKAOENU-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-chloro-N-(cyclobutylmethyl)-3-nitrobenzamide
CID 112576276
3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
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2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103990086
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
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CID 103707638

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide (CID 103988581) is 3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide is O=C(NCC1CCC1)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide?
The InChIKey is NRXONKIFKAOENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c13-10-6-2-5-9(11(10)14)12(16)15-7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H,15,16).
What are the key properties of 3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide?
3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide has a molecular weight of 302.60 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide is sourced from PubChem (CID 103988581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).