2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide

C20H21ClFNO3 — CID 27448939

IUPAC2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3c(F)cccc3Cl)CCOCC2)cc1
InChIInChI=1S/C20H21ClFNO3/c1-25-15-7-5-14(6-8-15)20(9-11-26-12-10-20)13-23-19(24)18-16(21)3-2-4-17(18)22/h2-8H,9-13H2,1H3,(H,23,24)
InChIKeyFWKZAGCIBKNQJQ-UHFFFAOYSA-N
MW377.84 g/mol
LogP3.97
Rot. Bonds5

About 2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide

2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 27448939) has the molecular formula C20H21ClFNO3 and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
PubChem CID27448939
Molecular FormulaC20H21ClFNO3
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC Name2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3c(F)cccc3Cl)CCOCC2)cc1
InChIInChI=1S/C20H21ClFNO3/c1-25-15-7-5-14(6-8-15)20(9-11-26-12-10-20)13-23-19(24)18-16(21)3-2-4-17(18)22/h2-8H,9-13H2,1H3,(H,23,24)
InChIKeyFWKZAGCIBKNQJQ-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 42266029
5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448908
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
CID 47071711
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
N'-(2-chlorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 27452218
2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,3-dimethoxybenzamide
CID 27449051
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 110445812
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 120625700

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide (CID 27448939) is 2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3c(F)cccc3Cl)CCOCC2)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is FWKZAGCIBKNQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO3/c1-25-15-7-5-14(6-8-15)20(9-11-26-12-10-20)13-23-19(24)18-16(21)3-2-4-17(18)22/h2-8H,9-13H2,1H3,(H,23,24).
What are the key properties of 2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 377.84 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 27448939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).