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

C12H16ClNO — CID 43578823

IUPAC3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)CCCl
InChIInChI=1S/C12H16ClNO/c1-10-5-3-4-6-11(10)9-14(2)12(15)7-8-13/h3-6H,7-9H2,1-2H3
InChIKeyFYZYSVOLWKXUOY-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.58
Rot. Bonds4

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

3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 43578823) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
PubChem CID43578823
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)CCCl
InChIInChI=1S/C12H16ClNO/c1-10-5-3-4-6-11(10)9-14(2)12(15)7-8-13/h3-6H,7-9H2,1-2H3
InChIKeyFYZYSVOLWKXUOY-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115162579
3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 60849544
3-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 134049187
4-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzoic acid
CID 119179454
4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 9369047
N-methyl-N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 78781706
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
3-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 51161411
4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 115157383

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide (CID 43578823) is 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CN(C)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is FYZYSVOLWKXUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-10-5-3-4-6-11(10)9-14(2)12(15)7-8-13/h3-6H,7-9H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 225.72 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 43578823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).