3-bromo-4-(cyclopropylmethoxy)benzamide

C11H12BrNO2 — CID 138985778

IUPAC3-bromo-4-(cyclopropylmethoxy)benzamide
SMILESNC(=O)c1ccc(OCC2CC2)c(Br)c1
InChIInChI=1S/C11H12BrNO2/c12-9-5-8(11(13)14)3-4-10(9)15-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,13,14)
InChIKeyMKECBRRTUMJWFJ-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.34
Rot. Bonds4

About 3-bromo-4-(cyclopropylmethoxy)benzamide

3-bromo-4-(cyclopropylmethoxy)benzamide (PubChem CID 138985778) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-bromo-4-(cyclopropylmethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-4-(cyclopropylmethoxy)benzamide
PubChem CID138985778
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name3-bromo-4-(cyclopropylmethoxy)benzamide
SMILESNC(=O)c1ccc(OCC2CC2)c(Br)c1
InChIInChI=1S/C11H12BrNO2/c12-9-5-8(11(13)14)3-4-10(9)15-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,13,14)
InChIKeyMKECBRRTUMJWFJ-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(piperidin-3-ylmethoxy)benzamide
CID 82801075
1-[3-bromo-4-(cyclopentylmethoxy)phenyl]ethanone
CID 66322201
3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide
CID 68981863
4-amino-3-(cycloheptylmethoxy)benzamide
CID 114247963
S-[3-bromo-4-(cyclopropylmethoxy)phenoxy]thiohydroxylamine
CID 134311171
2,4-bis[3-bromo-4-(cyclopropylmethoxy)phenyl]pentan-3-one
CID 150261941
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67803204
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone
CID 106202171
S-[3-bromo-4-(cyclopropylmethoxy)phenoxy]thiohydroxylamine;ethane
CID 144832890
3-bromo-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 82799234
4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
CID 43560583

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(cyclopropylmethoxy)benzamide?
The IUPAC name of 3-bromo-4-(cyclopropylmethoxy)benzamide (CID 138985778) is 3-bromo-4-(cyclopropylmethoxy)benzamide.
What is the SMILES notation for 3-bromo-4-(cyclopropylmethoxy)benzamide?
The canonical SMILES for 3-bromo-4-(cyclopropylmethoxy)benzamide is NC(=O)c1ccc(OCC2CC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(cyclopropylmethoxy)benzamide?
The InChIKey is MKECBRRTUMJWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-9-5-8(11(13)14)3-4-10(9)15-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,13,14).
What are the key properties of 3-bromo-4-(cyclopropylmethoxy)benzamide?
3-bromo-4-(cyclopropylmethoxy)benzamide has a molecular weight of 270.13 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(cyclopropylmethoxy)benzamide is sourced from PubChem (CID 138985778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).