2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide

C15H23BrN2O — CID 120652269

IUPAC2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
SMILESCCN[C@H](C)CNC(=O)C(C)(C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-5-17-11(2)10-18-14(19)15(3,4)12-7-6-8-13(16)9-12/h6-9,11,17H,5,10H2,1-4H3,(H,18,19)/t11-/m1/s1
InChIKeyIHXRHIKPPCCPQH-LLVKDONJSA-N
MW327.27 g/mol
LogP2.84
Rot. Bonds6

About 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide

2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide (PubChem CID 120652269) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
PubChem CID120652269
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
SMILESCCN[C@H](C)CNC(=O)C(C)(C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-5-17-11(2)10-18-14(19)15(3,4)12-7-6-8-13(16)9-12/h6-9,11,17H,5,10H2,1-4H3,(H,18,19)/t11-/m1/s1
InChIKeyIHXRHIKPPCCPQH-LLVKDONJSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-phenylpropanamide;hydrochloride
CID 120653206
3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653201
2-[[2-(3-bromophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119225762
2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
CID 120651607
1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
CID 120652825
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120650416
2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 56823325
2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide
CID 110022275
N-[(2R)-2-(ethylamino)propyl]-2,2-dimethylbutanamide
CID 120653493
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide
CID 120650381

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide?
The IUPAC name of 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide (CID 120652269) is 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide is CCN[C@H](C)CNC(=O)C(C)(C)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide?
The InChIKey is IHXRHIKPPCCPQH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-5-17-11(2)10-18-14(19)15(3,4)12-7-6-8-13(16)9-12/h6-9,11,17H,5,10H2,1-4H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide?
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide has a molecular weight of 327.27 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 120652269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).