(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide

C13H17ClFN3O — CID 140894275

IUPAC(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
SMILESCN(C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H17ClFN3O/c1-17(2)10-5-6-18(8-10)13(19)16-9-3-4-12(15)11(14)7-9/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyHBQNMEBVJKQGNS-SNVBAGLBSA-N
MW285.75 g/mol
LogP2.65
Rot. Bonds2

About (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide

(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide (PubChem CID 140894275) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
PubChem CID140894275
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC Name(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
SMILESCN(C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H17ClFN3O/c1-17(2)10-5-6-18(8-10)13(19)16-9-3-4-12(15)11(14)7-9/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyHBQNMEBVJKQGNS-SNVBAGLBSA-N
XLogP2.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
N-[4-(4-chlorophenoxy)phenyl]-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 72916566
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 95711738
[1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 174388279
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide
CID 7364521
N-(3-chloro-4-fluorophenyl)-3-[(4R)-4-(dimethylamino)azepan-1-yl]propanamide
CID 124755083
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide
CID 159674801
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide;sulfane
CID 159674800

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide (CID 140894275) is (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide is CN(C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C1.
What is the InChIKey of (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide?
The InChIKey is HBQNMEBVJKQGNS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17ClFN3O/c1-17(2)10-5-6-18(8-10)13(19)16-9-3-4-12(15)11(14)7-9/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,19)/t10-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide?
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide has a molecular weight of 285.75 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 140894275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).