2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide

C18H21BrN2O2 — CID 8795965

IUPAC2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc([C@@H](CNC(=O)c2ccccc2Br)N(C)C)c1
InChIInChI=1S/C18H21BrN2O2/c1-21(2)17(13-7-6-8-14(11-13)23-3)12-20-18(22)15-9-4-5-10-16(15)19/h4-11,17H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeySBCHYNMEQQPQCH-QGZVFWFLSA-N
MW377.28 g/mol
LogP3.49
Rot. Bonds6

About 2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide

2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 8795965) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID8795965
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc([C@@H](CNC(=O)c2ccccc2Br)N(C)C)c1
InChIInChI=1S/C18H21BrN2O2/c1-21(2)17(13-7-6-8-14(11-13)23-3)12-20-18(22)15-9-4-5-10-16(15)19/h4-11,17H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeySBCHYNMEQQPQCH-QGZVFWFLSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 78849646
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
CID 45001541
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 55337121
2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 55337352
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 55337326
5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 51150957
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 51186736
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51186700
2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 112503708

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide (CID 8795965) is 2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc([C@@H](CNC(=O)c2ccccc2Br)N(C)C)c1.
What is the InChIKey of 2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is SBCHYNMEQQPQCH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-21(2)17(13-7-6-8-14(11-13)23-3)12-20-18(22)15-9-4-5-10-16(15)19/h4-11,17H,12H2,1-3H3,(H,20,22)/t17-/m1/s1.
What are the key properties of 2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 377.28 g/mol, XLogP of 3.49, 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)-2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 8795965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).