N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide

C14H19Cl2NO2 — CID 102159039

IUPACN-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCOCC(=O)N(Cc1ccc(C)cc1)C(CCl)CCl
InChIInChI=1S/C14H19Cl2NO2/c1-11-3-5-12(6-4-11)9-17(13(7-15)8-16)14(18)10-19-2/h3-6,13H,7-10H2,1-2H3
InChIKeyJDFVMVUNEAGXEI-UHFFFAOYSA-N
MW304.22 g/mol
LogP2.82
Rot. Bonds7

About N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide

N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 102159039) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide
PubChem CID102159039
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC NameN-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCOCC(=O)N(Cc1ccc(C)cc1)C(CCl)CCl
InChIInChI=1S/C14H19Cl2NO2/c1-11-3-5-12(6-4-11)9-17(13(7-15)8-16)14(18)10-19-2/h3-6,13H,7-10H2,1-2H3
InChIKeyJDFVMVUNEAGXEI-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
(2S)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100561949
2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132664124
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132673332
3-chloro-N,2-dimethyl-N-[(4-methylphenyl)methyl]propanamide
CID 62726574
2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132706947
N-tert-butyl-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132707171
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132665249
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100677444
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100561797
3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide
CID 92930297
2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide
CID 166429853

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide (CID 102159039) is N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide is COCC(=O)N(Cc1ccc(C)cc1)C(CCl)CCl.
What is the InChIKey of N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is JDFVMVUNEAGXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-11-3-5-12(6-4-11)9-17(13(7-15)8-16)14(18)10-19-2/h3-6,13H,7-10H2,1-2H3.
What are the key properties of N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide?
N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 304.22 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dichloropropan-2-yl)-2-methoxy-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 102159039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).