(2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide

C20H20ClFN2O2 — CID 100850236

IUPAC(2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClFN2O2/c21-15-6-4-13(5-7-15)19-12-24(8-9-26-19)20(25)23-18-11-17(18)14-2-1-3-16(22)10-14/h1-7,10,17-19H,8-9,11-12H2,(H,23,25)/t17-,18+,19+/m0/s1
InChIKeyAWKYSKMROCSMLT-IPMKNSEASA-N
MW374.84 g/mol
LogP4.12
Rot. Bonds3

About (2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide

(2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide (PubChem CID 100850236) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide
PubChem CID100850236
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name(2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClFN2O2/c21-15-6-4-13(5-7-15)19-12-24(8-9-26-19)20(25)23-18-11-17(18)14-2-1-3-16(22)10-14/h1-7,10,17-19H,8-9,11-12H2,(H,23,25)/t17-,18+,19+/m0/s1
InChIKeyAWKYSKMROCSMLT-IPMKNSEASA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide with MolForge

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Related Compounds

(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide
CID 95588991
1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123706
1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
CID 174559637
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
(2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide
CID 164630204
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(3-fluorophenyl)acetamide
CID 60504856
(2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide
CID 94828080
(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide
CID 99775755
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95775493

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide (CID 100850236) is (2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide is O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide?
The InChIKey is AWKYSKMROCSMLT-IPMKNSEASA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c21-15-6-4-13(5-7-15)19-12-24(8-9-26-19)20(25)23-18-11-17(18)14-2-1-3-16(22)10-14/h1-7,10,17-19H,8-9,11-12H2,(H,23,25)/t17-,18+,19+/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide?
(2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide is sourced from PubChem (CID 100850236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).