N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide

C13H18ClN3O — CID 55151167

IUPACN-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCNC2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-17(2)12-4-3-10(7-11(12)14)16-13(18)9-5-6-15-8-9/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyQZFLEFOTUGSIAU-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.95
Rot. Bonds3

About N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide

N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55151167) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
PubChem CID55151167
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCNC2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-17(2)12-4-3-10(7-11(12)14)16-13(18)9-5-6-15-8-9/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyQZFLEFOTUGSIAU-UHFFFAOYSA-N
XLogP1.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119747432
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128
N-[3-(dimethylamino)-4-methylphenyl]piperidine-3-carboxamide
CID 115377234
N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119742686
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067583
N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119707641
N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
CID 63005956
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide (CID 55151167) is N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide is CN(C)c1ccc(NC(=O)C2CCNC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is QZFLEFOTUGSIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-17(2)12-4-3-10(7-11(12)14)16-13(18)9-5-6-15-8-9/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide?
N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55151167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).