N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide

C20H21BrN2O2 — CID 51959369

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1N(C)C(=O)C1CC1)c1ccccc1Br
InChIInChI=1S/C20H21BrN2O2/c1-13(15-7-3-5-9-17(15)21)22-19(24)16-8-4-6-10-18(16)23(2)20(25)14-11-12-14/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyJDLXCMJXGYJLMW-CYBMUJFWSA-N
MW401.30 g/mol
LogP4.31
Rot. Bonds5

About N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide

N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide (PubChem CID 51959369) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide
PubChem CID51959369
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1N(C)C(=O)C1CC1)c1ccccc1Br
InChIInChI=1S/C20H21BrN2O2/c1-13(15-7-3-5-9-17(15)21)22-19(24)16-8-4-6-10-18(16)23(2)20(25)14-11-12-14/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyJDLXCMJXGYJLMW-CYBMUJFWSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
CID 119224969
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
N-[2-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]-N-methylcyclopropanecarboxamide
CID 78886695
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
CID 60706338
N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 119478823
2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119252709
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054573

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide (CID 51959369) is N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide is C[C@@H](NC(=O)c1ccccc1N(C)C(=O)C1CC1)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide?
The InChIKey is JDLXCMJXGYJLMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c1-13(15-7-3-5-9-17(15)21)22-19(24)16-8-4-6-10-18(16)23(2)20(25)14-11-12-14/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide?
N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide has a molecular weight of 401.30 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide is sourced from PubChem (CID 51959369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).