2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide

C16H15ClFNO2 — CID 39442898

IUPAC2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CCl)c2cccc(F)c2)cc1
InChIInChI=1S/C16H15ClFNO2/c1-21-15-7-5-12(6-8-15)11-19(16(20)10-17)14-4-2-3-13(18)9-14/h2-9H,10-11H2,1H3
InChIKeyWYTSXUQPACWQEE-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.61
Rot. Bonds5

About 2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide

2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 39442898) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID39442898
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CCl)c2cccc(F)c2)cc1
InChIInChI=1S/C16H15ClFNO2/c1-21-15-7-5-12(6-8-15)11-19(16(20)10-17)14-4-2-3-13(18)9-14/h2-9H,10-11H2,1H3
InChIKeyWYTSXUQPACWQEE-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.61
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-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39442873
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 39437129
3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 46045658
2-chloro-N-ethyl-N-(4-methoxyphenyl)acetamide
CID 53416981
3-[4-[4-[(3-fluoro-N-pentanoylanilino)methyl]phenyl]phenoxy]prop-2-enoic acid;(E)-3-[4-[4-[(3-fluoro-N-pentanoylanilino)methyl]phenyl]phenoxy]prop-2-enoic acid
CID 158691615
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360716
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360509
diethyl 2-[2-(N-benzyl-3-fluoroanilino)-2-oxoethylidene]propanedioate
CID 101383040
4-[4-[(3-fluoro-N-pentanoylanilino)methyl]phenyl]benzoic acid
CID 71254804
(E)-N-[(4-fluorophenyl)methyl]-N-[3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 42859511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 39442898) is 2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)CCl)c2cccc(F)c2)cc1.
What is the InChIKey of 2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is WYTSXUQPACWQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-21-15-7-5-12(6-8-15)11-19(16(20)10-17)14-4-2-3-13(18)9-14/h2-9H,10-11H2,1H3.
What are the key properties of 2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 307.75 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 39442898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).