(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide

C10H13BrN2O — CID 82757390

IUPAC(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
SMILESCc1ccc(Br)c(NC(=O)[C@@H](C)N)c1
InChIInChI=1S/C10H13BrN2O/c1-6-3-4-8(11)9(5-6)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeyVFVGWIWFIZKPRQ-SSDOTTSWSA-N
MW257.13 g/mol
LogP2.04
Rot. Bonds2

About (2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide

(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide (PubChem CID 82757390) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
PubChem CID82757390
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
SMILESCc1ccc(Br)c(NC(=O)[C@@H](C)N)c1
InChIInChI=1S/C10H13BrN2O/c1-6-3-4-8(11)9(5-6)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeyVFVGWIWFIZKPRQ-SSDOTTSWSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
4-(2-bromo-5-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103499045
2-amino-N-(2-hydroxy-5-methylphenyl)propanamide;hydrochloride
CID 159728581
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide
CID 82747385
N-(2-bromo-5-methylphenyl)-2-cyanopropanamide
CID 82757747
(2-bromo-5-methylphenyl)urea
CID 82707313
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82706265
(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127013339
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309991

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide (CID 82757390) is (2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide is Cc1ccc(Br)c(NC(=O)[C@@H](C)N)c1.
What is the InChIKey of (2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide?
The InChIKey is VFVGWIWFIZKPRQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-6-3-4-8(11)9(5-6)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide?
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide has a molecular weight of 257.13 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide is sourced from PubChem (CID 82757390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).