N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide

C17H18ClNO2 — CID 131559171

IUPACN-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(C(Cl)C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-19(12-13-6-4-3-5-7-13)17(20)16(18)14-8-10-15(21-2)11-9-14/h3-11,16H,12H2,1-2H3
InChIKeyDLLCBWDSLGTXKE-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.63
Rot. Bonds5

About N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide

N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 131559171) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide
PubChem CID131559171
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(C(Cl)C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-19(12-13-6-4-3-5-7-13)17(20)16(18)14-8-10-15(21-2)11-9-14/h3-11,16H,12H2,1-2H3
InChIKeyDLLCBWDSLGTXKE-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.63
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

(2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 39948381
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
2-amino-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120666613
N-benzyl-N-chloro-1-(4-methoxyphenyl)ethanamine;ethane
CID 144529374
N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 109020403
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132652420
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 38011722
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 31240518
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 7726336
(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 95230216

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide (CID 131559171) is N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide is COc1ccc(C(Cl)C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is DLLCBWDSLGTXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-19(12-13-6-4-3-5-7-13)17(20)16(18)14-8-10-15(21-2)11-9-14/h3-11,16H,12H2,1-2H3.
What are the key properties of N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide?
N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide has a molecular weight of 303.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 131559171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).