2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide

C17H18ClNO2 — CID 60934244

IUPAC2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
SMILESCOc1cccc(C(C)NC(=O)C(Cl)c2ccccc2)c1
InChIInChI=1S/C17H18ClNO2/c1-12(14-9-6-10-15(11-14)21-2)19-17(20)16(18)13-7-4-3-5-8-13/h3-12,16H,1-2H3,(H,19,20)
InChIKeyFIFVVWZIQRJODD-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.85
Rot. Bonds5

About 2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide

2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide (PubChem CID 60934244) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
PubChem CID60934244
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
SMILESCOc1cccc(C(C)NC(=O)C(Cl)c2ccccc2)c1
InChIInChI=1S/C17H18ClNO2/c1-12(14-9-6-10-15(11-14)21-2)19-17(20)16(18)13-7-4-3-5-8-13/h3-12,16H,1-2H3,(H,19,20)
InChIKeyFIFVVWZIQRJODD-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.85
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

(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163
2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81373712
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
CID 64889104
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 122195499

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide (CID 60934244) is 2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide is COc1cccc(C(C)NC(=O)C(Cl)c2ccccc2)c1.
What is the InChIKey of 2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide?
The InChIKey is FIFVVWZIQRJODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(14-9-6-10-15(11-14)21-2)19-17(20)16(18)13-7-4-3-5-8-13/h3-12,16H,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide?
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide has a molecular weight of 303.79 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 60934244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).