1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide

C12H15FN2O — CID 81366451

IUPAC1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(N)CC1)c1cccc(F)c1
InChIInChI=1S/C12H15FN2O/c1-8(9-3-2-4-10(13)7-9)15-11(16)12(14)5-6-12/h2-4,7-8H,5-6,14H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyJQPZCIOHXGLSIX-MRVPVSSYSA-N
MW222.26 g/mol
LogP1.49
Rot. Bonds3

About 1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 81366451) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID81366451
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(N)CC1)c1cccc(F)c1
InChIInChI=1S/C12H15FN2O/c1-8(9-3-2-4-10(13)7-9)15-11(16)12(14)5-6-12/h2-4,7-8H,5-6,14H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyJQPZCIOHXGLSIX-MRVPVSSYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-amino-N-[1-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119686347
1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65465737
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
1-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentane-1-carboxamide
CID 60868476
1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115442476
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80587906
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide (CID 81366451) is 1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1(N)CC1)c1cccc(F)c1.
What is the InChIKey of 1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is JQPZCIOHXGLSIX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8(9-3-2-4-10(13)7-9)15-11(16)12(14)5-6-12/h2-4,7-8H,5-6,14H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of 1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 81366451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).