2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride

C14H17Cl3N2O — CID 119449999

IUPAC2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O.ClH/c15-9-3-8(4-10(16)5-9)12-6-13(12)14(19)18-11-1-2-17-7-11;/h3-5,11-13,17H,1-2,6-7H2,(H,18,19);1H
InChIKeyWAWCOQDVPLXTKM-UHFFFAOYSA-N
MW335.66 g/mol
LogP3.00
Rot. Bonds3

About 2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride

2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119449999) has the molecular formula C14H17Cl3N2O and a molecular weight of 335.66 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119449999
Molecular FormulaC14H17Cl3N2O
Molecular Weight335.66 g/mol
Exact Mass334.04
IUPAC Name2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O.ClH/c15-9-3-8(4-10(16)5-9)12-6-13(12)14(19)18-11-1-2-17-7-11;/h3-5,11-13,17H,1-2,6-7H2,(H,18,19);1H
InChIKeyWAWCOQDVPLXTKM-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.66
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119451122
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453757
2-(2,6-difluorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119451294
2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide
CID 120574563
2-(2-methylphenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453095
2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 119428601
2-naphthalen-1-yl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119454446
2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
CID 120643076
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564449
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641
2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120600418
N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 119382396

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride (CID 119449999) is 2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)C1CC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is WAWCOQDVPLXTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O.ClH/c15-9-3-8(4-10(16)5-9)12-6-13(12)14(19)18-11-1-2-17-7-11;/h3-5,11-13,17H,1-2,6-7H2,(H,18,19);1H.
What are the key properties of 2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride?
2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 335.66 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119449999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).