3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide

C15H20BrNO3 — CID 103800054

IUPAC3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
SMILESCOCCC1(CNC(=O)c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C15H20BrNO3/c1-19-8-7-15(5-6-15)10-17-14(18)11-3-4-13(20-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyISHPVNHNCLMDCB-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.00
Rot. Bonds7

About 3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide

3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide (PubChem CID 103800054) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
PubChem CID103800054
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
SMILESCOCCC1(CNC(=O)c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C15H20BrNO3/c1-19-8-7-15(5-6-15)10-17-14(18)11-3-4-13(20-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyISHPVNHNCLMDCB-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
CID 103741367
N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride
CID 119404702
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114758224
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 103957600
3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742483
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103800048
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide (CID 103800054) is 3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide is COCCC1(CNC(=O)c2ccc(OC)c(Br)c2)CC1.
What is the InChIKey of 3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
The InChIKey is ISHPVNHNCLMDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-19-8-7-15(5-6-15)10-17-14(18)11-3-4-13(20-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide has a molecular weight of 342.23 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 103800054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).