3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride

C17H26Cl3N3O — CID 119899510

IUPAC3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NC2CCN(c3cccc(Cl)c3)C2)C1
InChIInChI=1S/C17H24ClN3O.2ClH/c18-13-4-2-6-16(10-13)21-8-7-15(11-21)20-17(22)12-3-1-5-14(19)9-12;;/h2,4,6,10,12,14-15H,1,3,5,7-9,11,19H2,(H,20,22);2*1H
InChIKeyJOJRJIRODNZHSE-UHFFFAOYSA-N
MW394.77 g/mol
LogP3.40
Rot. Bonds3

About 3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119899510) has the molecular formula C17H26Cl3N3O and a molecular weight of 394.77 g/mol. Its IUPAC name is 3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119899510
Molecular FormulaC17H26Cl3N3O
Molecular Weight394.77 g/mol
Exact Mass393.11
IUPAC Name3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NC2CCN(c3cccc(Cl)c3)C2)C1
InChIInChI=1S/C17H24ClN3O.2ClH/c18-13-4-2-6-16(10-13)21-8-7-15(11-21)20-17(22)12-3-1-5-14(19)9-12;;/h2,4,6,10,12,14-15H,1,3,5,7-9,11,19H2,(H,20,22);2*1H
InChIKeyJOJRJIRODNZHSE-UHFFFAOYSA-N
XLogP3.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.77
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 119899482
3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119899508
3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide
CID 119899423
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
3-[[1-(3-chlorophenyl)pyrrolidin-3-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 119149291
3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119876240
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684
5-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methylbenzamide;dihydrochloride
CID 120647736
3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 119889300
3-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551477
(2S)-2-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-4-methylpentanamide;dihydrochloride
CID 119899554
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119899530

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride (CID 119899510) is 3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)NC2CCN(c3cccc(Cl)c3)C2)C1.
What is the InChIKey of 3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is JOJRJIRODNZHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O.2ClH/c18-13-4-2-6-16(10-13)21-8-7-15(11-21)20-17(22)12-3-1-5-14(19)9-12;;/h2,4,6,10,12,14-15H,1,3,5,7-9,11,19H2,(H,20,22);2*1H.
What are the key properties of 3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 394.77 g/mol, XLogP of 3.40, 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-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119899510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).