2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide

C12H16ClNO — CID 82110635

IUPAC2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)Cl)c(C)c1
InChIInChI=1S/C12H16ClNO/c1-8-4-5-11(9(2)6-8)7-14-12(15)10(3)13/h4-6,10H,7H2,1-3H3,(H,14,15)
InChIKeyXXLYRPNEHYBHHH-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.55
Rot. Bonds3

About 2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide

2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide (PubChem CID 82110635) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
PubChem CID82110635
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)Cl)c(C)c1
InChIInChI=1S/C12H16ClNO/c1-8-4-5-11(9(2)6-8)7-14-12(15)10(3)13/h4-6,10H,7H2,1-3H3,(H,14,15)
InChIKeyXXLYRPNEHYBHHH-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.55
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-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
3-[(2,4-dimethylphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 115164254
2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 75871769
N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
CID 28650775
2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
CID 115188283
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242
N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188860
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
CID 82109945
1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110901359
2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide
CID 110274784
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide (CID 82110635) is 2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)Cl)c(C)c1.
What is the InChIKey of 2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide?
The InChIKey is XXLYRPNEHYBHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-4-5-11(9(2)6-8)7-14-12(15)10(3)13/h4-6,10H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide?
2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide has a molecular weight of 225.72 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide is sourced from PubChem (CID 82110635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).