2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide

C16H15ClFNO2 — CID 110779980

IUPAC2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H15ClFNO2/c1-21-15-7-4-12(8-14(15)18)10-19-16(20)9-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyXJJCHDNIWWFCPI-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide

2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide (PubChem CID 110779980) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
PubChem CID110779980
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H15ClFNO2/c1-21-15-7-4-12(8-14(15)18)10-19-16(20)9-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyXJJCHDNIWWFCPI-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958
2-(4-chlorophenyl)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 112994111
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate
CID 18200158
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
CID 47064115
methyl 4-[(3-fluoro-4-methoxyphenyl)methylamino]-4-oxobutanoate
CID 94696051
tert-butyl N-[4-[2-[(3-fluoro-4-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]carbamate
CID 78865056
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158215
2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 55669732
N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 86926437

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide (CID 110779980) is 2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The InChIKey is XJJCHDNIWWFCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-21-15-7-4-12(8-14(15)18)10-19-16(20)9-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide has a molecular weight of 307.75 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 110779980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).