2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide

C17H17ClFNO3 — CID 166427866

IUPAC2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide
SMILESCOc1cccc(COc2cccc(NC(=O)C(F)Cl)c2C)c1
InChIInChI=1S/C17H17ClFNO3/c1-11-14(20-17(21)16(18)19)7-4-8-15(11)23-10-12-5-3-6-13(9-12)22-2/h3-9,16H,10H2,1-2H3,(H,20,21)
InChIKeyQCPYSAAAYUZGKP-UHFFFAOYSA-N
MW337.78 g/mol
LogP4.06
Rot. Bonds6

About 2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide

2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide (PubChem CID 166427866) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide
PubChem CID166427866
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide
SMILESCOc1cccc(COc2cccc(NC(=O)C(F)Cl)c2C)c1
InChIInChI=1S/C17H17ClFNO3/c1-11-14(20-17(21)16(18)19)7-4-8-15(11)23-10-12-5-3-6-13(9-12)22-2/h3-9,16H,10H2,1-2H3,(H,20,21)
InChIKeyQCPYSAAAYUZGKP-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide
CID 84590450
N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]-1,2-oxazole-3-carboxamide
CID 75433097
N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]-2-phenylbenzamide
CID 166328881
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
2-[(3-methoxyphenyl)methoxy]-N-(2-phenoxyphenyl)propanamide
CID 46450815
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 75389970
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate
CID 112828222
2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 86985434
4-[(3-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
CID 10638827
[4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol
CID 81237760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide (CID 166427866) is 2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide is COc1cccc(COc2cccc(NC(=O)C(F)Cl)c2C)c1.
What is the InChIKey of 2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide?
The InChIKey is QCPYSAAAYUZGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-11-14(20-17(21)16(18)19)7-4-8-15(11)23-10-12-5-3-6-13(9-12)22-2/h3-9,16H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide?
2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide has a molecular weight of 337.78 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide is sourced from PubChem (CID 166427866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).