(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide

C11H15BrN2O — CID 103992341

IUPAC(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
SMILESCc1cc(Br)ccc1CN[C@@H](C)C(N)=O
InChIInChI=1S/C11H15BrN2O/c1-7-5-10(12)4-3-9(7)6-14-8(2)11(13)15/h3-5,8,14H,6H2,1-2H3,(H2,13,15)/t8-/m0/s1
InChIKeyMBYZLUHUFQQMMD-QMMMGPOBSA-N
MW271.16 g/mol
LogP1.72
Rot. Bonds4

About (2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide

(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide (PubChem CID 103992341) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is (2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
PubChem CID103992341
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
SMILESCc1cc(Br)ccc1CN[C@@H](C)C(N)=O
InChIInChI=1S/C11H15BrN2O/c1-7-5-10(12)4-3-9(7)6-14-8(2)11(13)15/h3-5,8,14H,6H2,1-2H3,(H2,13,15)/t8-/m0/s1
InChIKeyMBYZLUHUFQQMMD-QMMMGPOBSA-N
XLogP1.72
TPSA55.12 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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide
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2-[(2-bromo-4-chlorophenyl)methylamino]propanamide
CID 81495277
2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
CID 43430625
2-[(4-bromo-3-methylphenyl)methylamino]propanamide
CID 66474598
2-[(4-bromo-2-methylphenyl)methylamino]pentanoic acid
CID 120509500
2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide
CID 119781006
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119781005
2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 110005910

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide?
The IUPAC name of (2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide (CID 103992341) is (2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide.
What is the SMILES notation for (2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide?
The canonical SMILES for (2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide is Cc1cc(Br)ccc1CN[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide?
The InChIKey is MBYZLUHUFQQMMD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7-5-10(12)4-3-9(7)6-14-8(2)11(13)15/h3-5,8,14H,6H2,1-2H3,(H2,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide?
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide has a molecular weight of 271.16 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 103992341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).