4-bromo-N-(3-methoxy-2-methylpropyl)benzamide

C12H16BrNO2 — CID 48685252

IUPAC4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
SMILESCOCC(C)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-9(8-16-2)7-14-12(15)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyLERPDMCZCVVWRA-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.46
Rot. Bonds5

About 4-bromo-N-(3-methoxy-2-methylpropyl)benzamide

4-bromo-N-(3-methoxy-2-methylpropyl)benzamide (PubChem CID 48685252) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-N-(3-methoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
PubChem CID48685252
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
SMILESCOCC(C)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-9(8-16-2)7-14-12(15)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyLERPDMCZCVVWRA-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658
5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
CID 47431973
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
3-amino-5-bromo-N-(3-methoxy-2-methylpropyl)-2-methylbenzamide
CID 107872634
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
2-[(4-bromobenzoyl)amino]-3-methoxypropanoic acid
CID 81076799
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
4-bromo-N-(2-methoxyethoxy)benzamide
CID 79676789
4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701326
2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65397770
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methoxy-2-methylpropyl)benzamide?
The IUPAC name of 4-bromo-N-(3-methoxy-2-methylpropyl)benzamide (CID 48685252) is 4-bromo-N-(3-methoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-methoxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-methoxy-2-methylpropyl)benzamide is COCC(C)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-methoxy-2-methylpropyl)benzamide?
The InChIKey is LERPDMCZCVVWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(8-16-2)7-14-12(15)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 4-bromo-N-(3-methoxy-2-methylpropyl)benzamide?
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide has a molecular weight of 286.17 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 48685252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).