2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide

C16H16ClNO2 — CID 146085901

IUPAC2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
SMILESCc1cccc(Oc2ccccc2CNC(=O)CCl)c1
InChIInChI=1S/C16H16ClNO2/c1-12-5-4-7-14(9-12)20-15-8-3-2-6-13(15)11-18-16(19)10-17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZUGGAFVRSXTHRN-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.64
Rot. Bonds5

About 2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide

2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide (PubChem CID 146085901) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
PubChem CID146085901
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
SMILESCc1cccc(Oc2ccccc2CNC(=O)CCl)c1
InChIInChI=1S/C16H16ClNO2/c1-12-5-4-7-14(9-12)20-15-8-3-2-6-13(15)11-18-16(19)10-17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZUGGAFVRSXTHRN-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 119777851
N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide
CID 146083553
N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86897083
N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)acetamide
CID 53288654
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122001141
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305
N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 86896713
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
2-N,2-N,6-trimethyl-5-N-[[2-(3-methylphenoxy)phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86896413
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide
CID 119777787

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide (CID 146085901) is 2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide is Cc1cccc(Oc2ccccc2CNC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide?
The InChIKey is ZUGGAFVRSXTHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-12-5-4-7-14(9-12)20-15-8-3-2-6-13(15)11-18-16(19)10-17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide?
2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide has a molecular weight of 289.76 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 146085901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).