(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide

C12H16ClNO — CID 51921905

IUPAC(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)[C@@H](C)Cl
InChIInChI=1S/C12H16ClNO/c1-9-5-3-4-6-11(9)7-8-14-12(15)10(2)13/h3-6,10H,7-8H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyODUISDFZSWNEHK-SNVBAGLBSA-N
MW225.72 g/mol
LogP2.28
Rot. Bonds4

About (2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide

(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 51921905) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID51921905
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)[C@@H](C)Cl
InChIInChI=1S/C12H16ClNO/c1-9-5-3-4-6-11(9)7-8-14-12(15)10(2)13/h3-6,10H,7-8H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyODUISDFZSWNEHK-SNVBAGLBSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
CID 71896107
3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115180788
N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide
CID 108574801
3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide
CID 86901199
2-chloro-N-[2-(3,4-dimethylphenyl)ethyl]propanamide
CID 82110156
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide (CID 51921905) is (2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1CCNC(=O)[C@@H](C)Cl.
What is the InChIKey of (2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is ODUISDFZSWNEHK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-5-3-4-6-11(9)7-8-14-12(15)10(2)13/h3-6,10H,7-8H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide?
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 225.72 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 51921905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).