2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide

C22H23F3N2O3 — CID 10364816

IUPAC2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
SMILESO=C(NC(CO)c1ccc(F)c(N2CCOCC2)c1)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C22H23F3N2O3/c23-14-2-4-18(24)16(10-14)15-11-17(15)22(29)26-20(12-28)13-1-3-19(25)21(9-13)27-5-7-30-8-6-27/h1-4,9-10,15,17,20,28H,5-8,11-12H2,(H,26,29)
InChIKeyVUPRVJHCHRMZKM-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.89
Rot. Bonds6

About 2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide

2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide (PubChem CID 10364816) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
PubChem CID10364816
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
SMILESO=C(NC(CO)c1ccc(F)c(N2CCOCC2)c1)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C22H23F3N2O3/c23-14-2-4-18(24)16(10-14)15-11-17(15)22(29)26-20(12-28)13-1-3-19(25)21(9-13)27-5-7-30-8-6-27/h1-4,9-10,15,17,20,28H,5-8,11-12H2,(H,26,29)
InChIKeyVUPRVJHCHRMZKM-UHFFFAOYSA-N
XLogP2.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3,5-difluorophenyl)-N-[(1R)-1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]prop-2-enamide
CID 58633303
(E)-N-[(1R)-1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide
CID 58633349
(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119369587
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid
CID 117108583
3-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119177424
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684
2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
CID 111697111
methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate
CID 117108709
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
(E)-3-(2,4-difluorophenyl)-N-[(1R)-2-hydroxy-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 10249664

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide (CID 10364816) is 2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide is O=C(NC(CO)c1ccc(F)c(N2CCOCC2)c1)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide?
The InChIKey is VUPRVJHCHRMZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c23-14-2-4-18(24)16(10-14)15-11-17(15)22(29)26-20(12-28)13-1-3-19(25)21(9-13)27-5-7-30-8-6-27/h1-4,9-10,15,17,20,28H,5-8,11-12H2,(H,26,29).
What are the key properties of 2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide?
2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 10364816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).