3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide

C17H23F2N3O — CID 119899423

IUPAC3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NC2CCN(c3c(F)cccc3F)C2)C1
InChIInChI=1S/C17H23F2N3O/c18-14-5-2-6-15(19)16(14)22-8-7-13(10-22)21-17(23)11-3-1-4-12(20)9-11/h2,5-6,11-13H,1,3-4,7-10,20H2,(H,21,23)
InChIKeyGKJBOGYRKQAQQT-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.18
Rot. Bonds3

About 3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide

3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide (PubChem CID 119899423) has the molecular formula C17H23F2N3O and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide
PubChem CID119899423
Molecular FormulaC17H23F2N3O
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NC2CCN(c3c(F)cccc3F)C2)C1
InChIInChI=1S/C17H23F2N3O/c18-14-5-2-6-15(19)16(14)22-8-7-13(10-22)21-17(23)11-3-1-4-12(20)9-11/h2,5-6,11-13H,1,3-4,7-10,20H2,(H,21,23)
InChIKeyGKJBOGYRKQAQQT-UHFFFAOYSA-N
XLogP2.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119899510
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684
1-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 100643274
(2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride
CID 119899434
trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 124700001
3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119876240
(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone
CID 116568844
N-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 97055401
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601
3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 119889300
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119895345

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide (CID 119899423) is 3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NC2CCN(c3c(F)cccc3F)C2)C1.
What is the InChIKey of 3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is GKJBOGYRKQAQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O/c18-14-5-2-6-15(19)16(14)22-8-7-13(10-22)21-17(23)11-3-1-4-12(20)9-11/h2,5-6,11-13H,1,3-4,7-10,20H2,(H,21,23).
What are the key properties of 3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide?
3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119899423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).