(2R)-2-bromo-N-(2-methoxyphenyl)propanamide

C10H12BrNO2 — CID 737002

IUPAC(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)Br
InChIInChI=1S/C10H12BrNO2/c1-7(11)10(13)12-8-5-3-4-6-9(8)14-2/h3-7H,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyNCKXHHANTBQLTI-SSDOTTSWSA-N
MW258.12 g/mol
LogP2.42
Rot. Bonds3

About (2R)-2-bromo-N-(2-methoxyphenyl)propanamide

(2R)-2-bromo-N-(2-methoxyphenyl)propanamide (PubChem CID 737002) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is (2R)-2-bromo-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
PubChem CID737002
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)Br
InChIInChI=1S/C10H12BrNO2/c1-7(11)10(13)12-8-5-3-4-6-9(8)14-2/h3-7H,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyNCKXHHANTBQLTI-SSDOTTSWSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
(2R)-2-bromo-4,4,4-trifluoro-N-(2-methoxyphenyl)-3-oxobutanamide
CID 129452961
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide
CID 40794639
2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide
CID 134349346
2-(carbamoylamino)-N-(2-methoxyphenyl)propanamide
CID 47097666
(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide
CID 97234739
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-bromo-N-(2-methoxyphenyl)propanamide (CID 737002) is (2R)-2-bromo-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-bromo-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-bromo-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@@H](C)Br.
What is the InChIKey of (2R)-2-bromo-N-(2-methoxyphenyl)propanamide?
The InChIKey is NCKXHHANTBQLTI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7(11)10(13)12-8-5-3-4-6-9(8)14-2/h3-7H,1-2H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-bromo-N-(2-methoxyphenyl)propanamide?
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide has a molecular weight of 258.12 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 737002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).