1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide

C11H12Cl2N2O — CID 117008210

IUPAC1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C11H12Cl2N2O/c12-8-3-9(13)5-10(4-8)15-2-1-7(6-15)11(14)16/h3-5,7H,1-2,6H2,(H2,14,16)
InChIKeyPVRKYWFEQXFJCH-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.31
Rot. Bonds2

About 1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide

1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide (PubChem CID 117008210) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
PubChem CID117008210
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C11H12Cl2N2O/c12-8-3-9(13)5-10(4-8)15-2-1-7(6-15)11(14)16/h3-5,7H,1-2,6H2,(H2,14,16)
InChIKeyPVRKYWFEQXFJCH-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174
1-[3-(aminomethyl)-5-bromophenyl]pyrrolidine-3-carboxamide
CID 114081728
(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane
CID 161148090
1-naphthalen-2-ylpyrrolidine-3-carboxamide
CID 123803254
3-(3,5-dichlorophenyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 146382299
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 77230471
1-(4-ethylphenyl)pyrrolidine-3-carboxamide
CID 117008157
1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 175830226
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
1-(3,5-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60862129

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide (CID 117008210) is 1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is PVRKYWFEQXFJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c12-8-3-9(13)5-10(4-8)15-2-1-7(6-15)11(14)16/h3-5,7H,1-2,6H2,(H2,14,16).
What are the key properties of 1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide?
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 259.14 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 117008210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).