2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide

C14H16Cl2N2O — CID 119451122

IUPAC2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
SMILESO=C(NC1CCNC1)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c15-12-2-1-8(5-13(12)16)10-6-11(10)14(19)18-9-3-4-17-7-9/h1-2,5,9-11,17H,3-4,6-7H2,(H,18,19)
InChIKeyRVWLPGQRERBBCI-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.58
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide

2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide (PubChem CID 119451122) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
PubChem CID119451122
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
SMILESO=C(NC1CCNC1)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c15-12-2-1-8(5-13(12)16)10-6-11(10)14(19)18-9-3-4-17-7-9/h1-2,5,9-11,17H,3-4,6-7H2,(H,18,19)
InChIKeyRVWLPGQRERBBCI-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119449999
4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230221
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453757
cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]cyclopropane-1-carboxamide
CID 124731814
2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119442332
2-(2,6-difluorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119451294
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
2-(2-methylphenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453095
2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119386183
2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 119428601
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide (CID 119451122) is 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide is O=C(NC1CCNC1)C1CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide?
The InChIKey is RVWLPGQRERBBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c15-12-2-1-8(5-13(12)16)10-6-11(10)14(19)18-9-3-4-17-7-9/h1-2,5,9-11,17H,3-4,6-7H2,(H,18,19).
What are the key properties of 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide?
2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide has a molecular weight of 299.20 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 119451122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).