2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide

C12H16ClNO — CID 162420357

IUPAC2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide
SMILESCCc1cccc(CN(C)C(=O)CCl)c1
InChIInChI=1S/C12H16ClNO/c1-3-10-5-4-6-11(7-10)9-14(2)12(15)8-13/h4-7H,3,8-9H2,1-2H3
InChIKeyCZTFCZMZHPQOPX-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.45
Rot. Bonds4

About 2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide

2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide (PubChem CID 162420357) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide
PubChem CID162420357
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide
SMILESCCc1cccc(CN(C)C(=O)CCl)c1
InChIInChI=1S/C12H16ClNO/c1-3-10-5-4-6-11(7-10)9-14(2)12(15)8-13/h4-7H,3,8-9H2,1-2H3
InChIKeyCZTFCZMZHPQOPX-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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

methyl 3-[[(2-chloroacetyl)-methylamino]methyl]benzoate
CID 167785588
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide
CID 82109404
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
CID 166403235
2-chloro-N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]acetamide
CID 115162099
N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60687586
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
CID 60812217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide (CID 162420357) is 2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide is CCc1cccc(CN(C)C(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide?
The InChIKey is CZTFCZMZHPQOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-10-5-4-6-11(7-10)9-14(2)12(15)8-13/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide?
2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide has a molecular weight of 225.72 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 162420357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).