1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride

C16H24Cl2FN3O2 — CID 119865951

IUPAC1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCC(c2cccc(F)c2)N2CCOCC2)CC1
InChIInChI=1S/C16H22FN3O2.2ClH/c17-13-3-1-2-12(10-13)14(20-6-8-22-9-7-20)11-19-15(21)16(18)4-5-16;;/h1-3,10,14H,4-9,11,18H2,(H,19,21);2*1H
InChIKeyMLJMZMVQTYODEZ-UHFFFAOYSA-N
MW380.29 g/mol
LogP1.65
Rot. Bonds5

About 1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119865951) has the molecular formula C16H24Cl2FN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119865951
Molecular FormulaC16H24Cl2FN3O2
Molecular Weight380.29 g/mol
Exact Mass379.12
IUPAC Name1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCC(c2cccc(F)c2)N2CCOCC2)CC1
InChIInChI=1S/C16H22FN3O2.2ClH/c17-13-3-1-2-12(10-13)14(20-6-8-22-9-7-20)11-19-15(21)16(18)4-5-16;;/h1-3,10,14H,4-9,11,18H2,(H,19,21);2*1H
InChIKeyMLJMZMVQTYODEZ-UHFFFAOYSA-N
XLogP1.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
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3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride
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1-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
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1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea
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1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
CID 60592399
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methylphenyl)methyl]urea
CID 60592552
4-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methoxybutanamide
CID 120596042
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119865951) is 1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCC(c2cccc(F)c2)N2CCOCC2)CC1.
What is the InChIKey of 1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is MLJMZMVQTYODEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2.2ClH/c17-13-3-1-2-12(10-13)14(20-6-8-22-9-7-20)11-19-15(21)16(18)4-5-16;;/h1-3,10,14H,4-9,11,18H2,(H,19,21);2*1H.
What are the key properties of 1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 380.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119865951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).