3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide

C13H18ClNO — CID 79762696

IUPAC3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(C)CCl
InChIInChI=1S/C13H18ClNO/c1-10-5-3-4-6-12(10)7-8-15-13(16)11(2)9-14/h3-6,11H,7-9H2,1-2H3,(H,15,16)
InChIKeyLRIKCCSNLUCVGB-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.53
Rot. Bonds5

About 3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide

3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 79762696) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID79762696
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(C)CCl
InChIInChI=1S/C13H18ClNO/c1-10-5-3-4-6-12(10)7-8-15-13(16)11(2)9-14/h3-6,11H,7-9H2,1-2H3,(H,15,16)
InChIKeyLRIKCCSNLUCVGB-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.53
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

2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
CID 71896107
3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115180788
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 113250799
2-methyl-3-[methyl-[2-(2-methylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 79757557
3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide
CID 86901199
3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide
CID 79755444
2-methyl-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 115220894
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide (CID 79762696) is 3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1CCNC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is LRIKCCSNLUCVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-5-3-4-6-12(10)7-8-15-13(16)11(2)9-14/h3-6,11H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide?
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 239.75 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 79762696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).