2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide

C15H23BrN2O2 — CID 95160183

IUPAC2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](C(C)C)N(C)C)c(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-10(2)14(18(3)4)9-17-15(19)12-7-6-11(20-5)8-13(12)16/h6-8,10,14H,9H2,1-5H3,(H,17,19)/t14-/m1/s1
InChIKeyGUZAEOFLEPPKLQ-CQSZACIVSA-N
MW343.27 g/mol
LogP2.77
Rot. Bonds6

About 2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide

2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide (PubChem CID 95160183) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide
PubChem CID95160183
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](C(C)C)N(C)C)c(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-10(2)14(18(3)4)9-17-15(19)12-7-6-11(20-5)8-13(12)16/h6-8,10,14H,9H2,1-5H3,(H,17,19)/t14-/m1/s1
InChIKeyGUZAEOFLEPPKLQ-CQSZACIVSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide
CID 111115894
N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide
CID 24650094
2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 107952235
2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225
2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447047
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
6-(3-bromophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-2-methylpyridine-3-carboxamide
CID 43066460
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide?
The IUPAC name of 2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide (CID 95160183) is 2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@H](C(C)C)N(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide?
The InChIKey is GUZAEOFLEPPKLQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10(2)14(18(3)4)9-17-15(19)12-7-6-11(20-5)8-13(12)16/h6-8,10,14H,9H2,1-5H3,(H,17,19)/t14-/m1/s1.
What are the key properties of 2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide?
2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide has a molecular weight of 343.27 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide is sourced from PubChem (CID 95160183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).