(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide

C11H15BrN2O — CID 103735692

IUPAC(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8(11(15)13-2)14-7-9-4-3-5-10(12)6-9/h3-6,8,14H,7H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyWTESBABBDYKFJZ-MRVPVSSYSA-N
MW271.16 g/mol
LogP1.67
Rot. Bonds4

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

(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide (PubChem CID 103735692) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is (2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide
PubChem CID103735692
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8(11(15)13-2)14-7-9-4-3-5-10(12)6-9/h3-6,8,14H,7H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyWTESBABBDYKFJZ-MRVPVSSYSA-N
XLogP1.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide
CID 20823796
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
2-[(3-iodophenyl)methylamino]-N-methylpropanamide
CID 20823789
2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide
CID 61401079
2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 61401140
N-methyl-2-[(3-nitrophenyl)methylamino]propanamide
CID 61057620
2-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
3-[(3-bromophenyl)methylamino]-3-hydroxy-2-methylpropanoic acid
CID 91399058
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
2-[(3-bromophenyl)methylamino]-3-methylpentanoic acid
CID 5005575

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide (CID 103735692) is (2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide is CNC(=O)[C@@H](C)NCc1cccc(Br)c1.
What is the InChIKey of (2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide?
The InChIKey is WTESBABBDYKFJZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(11(15)13-2)14-7-9-4-3-5-10(12)6-9/h3-6,8,14H,7H2,1-2H3,(H,13,15)/t8-/m1/s1.
What are the key properties of (2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide?
(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide has a molecular weight of 271.16 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 103735692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).