N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

C22H26ClFN2O3 — CID 55610174

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(c2ccccc2Cl)N2CCOCC2)cc1F
InChIInChI=1S/C22H26ClFN2O3/c1-28-21-8-6-16(14-19(21)24)7-9-22(27)25-15-20(26-10-12-29-13-11-26)17-4-2-3-5-18(17)23/h2-6,8,14,20H,7,9-13,15H2,1H3,(H,25,27)
InChIKeyQBYBCIQIQXJQOB-UHFFFAOYSA-N
MW420.91 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (PubChem CID 55610174) has the molecular formula C22H26ClFN2O3 and a molecular weight of 420.91 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
PubChem CID55610174
Molecular FormulaC22H26ClFN2O3
Molecular Weight420.91 g/mol
Exact Mass420.16
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(c2ccccc2Cl)N2CCOCC2)cc1F
InChIInChI=1S/C22H26ClFN2O3/c1-28-21-8-6-16(14-19(21)24)7-9-22(27)25-15-20(26-10-12-29-13-11-26)17-4-2-3-5-18(17)23/h2-6,8,14,20H,7,9-13,15H2,1H3,(H,25,27)
InChIKeyQBYBCIQIQXJQOB-UHFFFAOYSA-N
XLogP3.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.91
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
CID 39590991
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)propanamide
CID 51937855
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide
CID 46446929
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 17012218
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 35041725
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]pentanamide
CID 112504087
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (CID 55610174) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC(c2ccccc2Cl)N2CCOCC2)cc1F.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The InChIKey is QBYBCIQIQXJQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O3/c1-28-21-8-6-16(14-19(21)24)7-9-22(27)25-15-20(26-10-12-29-13-11-26)17-4-2-3-5-18(17)23/h2-6,8,14,20H,7,9-13,15H2,1H3,(H,25,27).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide has a molecular weight of 420.91 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 55610174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).