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

C12H13BrClNO — CID 38655696

IUPAC5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
SMILESO=C(NCC1CCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H13BrClNO/c13-9-4-5-11(14)10(6-9)12(16)15-7-8-2-1-3-8/h4-6,8H,1-3,7H2,(H,15,16)
InChIKeyPBUCWVMWGZKOHA-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.63
Rot. Bonds3

About 5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide

5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide (PubChem CID 38655696) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
PubChem CID38655696
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC Name5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
SMILESO=C(NCC1CCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H13BrClNO/c13-9-4-5-11(14)10(6-9)12(16)15-7-8-2-1-3-8/h4-6,8H,1-3,7H2,(H,15,16)
InChIKeyPBUCWVMWGZKOHA-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide (CID 38655696) is 5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide is O=C(NCC1CCC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide?
The InChIKey is PBUCWVMWGZKOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c13-9-4-5-11(14)10(6-9)12(16)15-7-8-2-1-3-8/h4-6,8H,1-3,7H2,(H,15,16).
What are the key properties of 5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide?
5-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 5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide is sourced from PubChem (CID 38655696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).