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

C15H21FN2O — CID 81365382

IUPAC2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1N)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-10(11-5-4-6-12(16)9-11)18-15(19)13-7-2-3-8-14(13)17/h4-6,9-10,13-14H,2-3,7-8,17H2,1H3,(H,18,19)/t10-,13?,14?/m1/s1
InChIKeySYINWCCSAHOWMR-GWMXKSKGSA-N
MW264.34 g/mol
LogP2.52
Rot. Bonds3

About 2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide

2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 81365382) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID81365382
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1N)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-10(11-5-4-6-12(16)9-11)18-15(19)13-7-2-3-8-14(13)17/h4-6,9-10,13-14H,2-3,7-8,17H2,1H3,(H,18,19)/t10-,13?,14?/m1/s1
InChIKeySYINWCCSAHOWMR-GWMXKSKGSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cycloheptane-1-carboxamide
CID 81366921
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81366049
2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81360813
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823129
2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376546
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-amino-N-[1-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823175
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine
CID 62369078

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 81365382) is 2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide is C[C@@H](NC(=O)C1CCCCC1N)c1cccc(F)c1.
What is the InChIKey of 2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is SYINWCCSAHOWMR-GWMXKSKGSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10(11-5-4-6-12(16)9-11)18-15(19)13-7-2-3-8-14(13)17/h4-6,9-10,13-14H,2-3,7-8,17H2,1H3,(H,18,19)/t10-,13?,14?/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81365382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).