5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide

C22H18ClF2NO2 — CID 141125072

IUPAC5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Cl)ccc1COc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C22H18ClF2NO2/c1-14(15-5-3-2-4-6-15)26-22(27)19-11-17(23)8-7-16(19)13-28-21-10-9-18(24)12-20(21)25/h2-12,14H,13H2,1H3,(H,26,27)/t14-/m0/s1
InChIKeyZXJVYAZFDBEDOE-AWEZNQCLSA-N
MW401.84 g/mol
LogP5.69
Rot. Bonds6

About 5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide

5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 141125072) has the molecular formula C22H18ClF2NO2 and a molecular weight of 401.84 g/mol. Its IUPAC name is 5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID141125072
Molecular FormulaC22H18ClF2NO2
Molecular Weight401.84 g/mol
Exact Mass401.10
IUPAC Name5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Cl)ccc1COc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C22H18ClF2NO2/c1-14(15-5-3-2-4-6-15)26-22(27)19-11-17(23)8-7-16(19)13-28-21-10-9-18(24)12-20(21)25/h2-12,14H,13H2,1H3,(H,26,27)/t14-/m0/s1
InChIKeyZXJVYAZFDBEDOE-AWEZNQCLSA-N
XLogP5.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.84
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(1S)-1-[[5-chloro-2-[(2,3-difluorophenoxy)methyl]benzoyl]amino]ethyl]benzoate
CID 68863815
4-[1-[[5-chloro-2-[(2,6-difluorophenoxy)methyl]benzoyl]amino]ethyl]benzoic acid
CID 69346846
5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide
CID 141125141
5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide
CID 141125104
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
4-[(1S)-1-[[2-[(2-aminophenyl)methoxy]-5-chlorobenzoyl]amino]ethyl]benzoic acid
CID 70328500
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
4-[1-[[5-chloro-2-(3-fluorophenoxy)benzoyl]amino]ethyl]benzoic acid
CID 73016543
5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 141442192
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide (CID 141125072) is 5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1cc(Cl)ccc1COc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is ZXJVYAZFDBEDOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H18ClF2NO2/c1-14(15-5-3-2-4-6-15)26-22(27)19-11-17(23)8-7-16(19)13-28-21-10-9-18(24)12-20(21)25/h2-12,14H,13H2,1H3,(H,26,27)/t14-/m0/s1.
What are the key properties of 5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide?
5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 401.84 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 141125072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).