3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride

C16H22ClFN2O — CID 119796466

IUPAC3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NC2(c3ccccc3F)CC2)C1
InChIInChI=1S/C16H21FN2O.ClH/c17-14-7-2-1-6-13(14)16(8-9-16)19-15(20)11-4-3-5-12(18)10-11;/h1-2,6-7,11-12H,3-5,8-10,18H2,(H,19,20);1H
InChIKeyZPSUKGCIXCWSLI-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.87
Rot. Bonds3

About 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119796466) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119796466
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NC2(c3ccccc3F)CC2)C1
InChIInChI=1S/C16H21FN2O.ClH/c17-14-7-2-1-6-13(14)16(8-9-16)19-15(20)11-4-3-5-12(18)10-11;/h1-2,6-7,11-12H,3-5,8-10,18H2,(H,19,20);1H
InChIKeyZPSUKGCIXCWSLI-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)cyclopropyl]cyclohexanecarboxamide
CID 110482201
3-amino-N-(1-phenylcyclopentyl)cyclohexane-1-carboxamide
CID 119786235
3-amino-N-[1-(4-chlorophenyl)cyclopentyl]cyclohexane-1-carboxamide
CID 119766559
3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119722765
1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110469627
N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411319
3-amino-N-[1-(4-chlorophenyl)cyclopentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766556
(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone
CID 116568844
3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782888
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782648
3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide
CID 120501299
3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119707997

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride (CID 119796466) is 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)NC2(c3ccccc3F)CC2)C1.
What is the InChIKey of 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZPSUKGCIXCWSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O.ClH/c17-14-7-2-1-6-13(14)16(8-9-16)19-15(20)11-4-3-5-12(18)10-11;/h1-2,6-7,11-12H,3-5,8-10,18H2,(H,19,20);1H.
What are the key properties of 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119796466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).