5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide

C23H21ClFNO2 — CID 141125141

IUPAC5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Cl)ccc1OCCc1ccccc1F)c1ccccc1
InChIInChI=1S/C23H21ClFNO2/c1-16(17-7-3-2-4-8-17)26-23(27)20-15-19(24)11-12-22(20)28-14-13-18-9-5-6-10-21(18)25/h2-12,15-16H,13-14H2,1H3,(H,26,27)/t16-/m0/s1
InChIKeyWSCLWMFOSLZGDL-INIZCTEOSA-N
MW397.88 g/mol
LogP5.59
Rot. Bonds7

About 5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide

5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 141125141) has the molecular formula C23H21ClFNO2 and a molecular weight of 397.88 g/mol. Its IUPAC name is 5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID141125141
Molecular FormulaC23H21ClFNO2
Molecular Weight397.88 g/mol
Exact Mass397.12
IUPAC Name5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Cl)ccc1OCCc1ccccc1F)c1ccccc1
InChIInChI=1S/C23H21ClFNO2/c1-16(17-7-3-2-4-8-17)26-23(27)20-15-19(24)11-12-22(20)28-14-13-18-9-5-6-10-21(18)25/h2-12,15-16H,13-14H2,1H3,(H,26,27)/t16-/m0/s1
InChIKeyWSCLWMFOSLZGDL-INIZCTEOSA-N
XLogP5.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.88
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide
CID 141125104
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide
CID 141125072
4-[(1S)-1-[[2-[(2-aminophenyl)methoxy]-5-chlorobenzoyl]amino]ethyl]benzoic acid
CID 70328500
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
4-[(1S)-1-[[5-chloro-2-(2,3-difluorophenoxy)benzoyl]amino]ethyl]benzoic acid
CID 11510286
5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 141442192
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
4-[1-[[5-chloro-2-[(2,6-difluorophenoxy)methyl]benzoyl]amino]ethyl]benzoic acid
CID 69346846
5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188857

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide (CID 141125141) is 5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1cc(Cl)ccc1OCCc1ccccc1F)c1ccccc1.
What is the InChIKey of 5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is WSCLWMFOSLZGDL-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21ClFNO2/c1-16(17-7-3-2-4-8-17)26-23(27)20-15-19(24)11-12-22(20)28-14-13-18-9-5-6-10-21(18)25/h2-12,15-16H,13-14H2,1H3,(H,26,27)/t16-/m0/s1.
What are the key properties of 5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide?
5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 397.88 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 141125141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).