3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide

C12H13BrClNO2 — CID 104578392

IUPAC3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C12H13BrClNO2/c1-17-9-5-8(6-9)15-12(16)7-2-3-11(14)10(13)4-7/h2-4,8-9H,5-6H2,1H3,(H,15,16)
InChIKeySXOUCSPZSACRIW-UHFFFAOYSA-N
MW318.60 g/mol
LogP3.01
Rot. Bonds3

About 3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide

3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide (PubChem CID 104578392) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
PubChem CID104578392
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C12H13BrClNO2/c1-17-9-5-8(6-9)15-12(16)7-2-3-11(14)10(13)4-7/h2-4,8-9H,5-6H2,1H3,(H,15,16)
InChIKeySXOUCSPZSACRIW-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide
CID 103842108
3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
CID 107989487
N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
CID 103841550
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
3-bromo-4-chloro-N-(thian-4-yl)benzamide
CID 103841879
6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
CID 104578722
3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide
CID 114118479
2,5-dibromo-N-(3-methoxycyclobutyl)benzamide
CID 104920723
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259
4-[(3-bromo-4-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 107997987
5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide
CID 114120797
3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 103841788

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide (CID 104578392) is 3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide is COC1CC(NC(=O)c2ccc(Cl)c(Br)c2)C1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide?
The InChIKey is SXOUCSPZSACRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c1-17-9-5-8(6-9)15-12(16)7-2-3-11(14)10(13)4-7/h2-4,8-9H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide?
3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide has a molecular weight of 318.60 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide is sourced from PubChem (CID 104578392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).