N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide

C15H22ClN3O — CID 63139572

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc(Cl)ccc2N(C)C)CCNC1
InChIInChI=1S/C15H22ClN3O/c1-4-15(7-8-17-10-15)14(20)18-12-9-11(16)5-6-13(12)19(2)3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeyQJOCGCFSQHPZMC-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.73
Rot. Bonds4

About N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide

N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63139572) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID63139572
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc(Cl)ccc2N(C)C)CCNC1
InChIInChI=1S/C15H22ClN3O/c1-4-15(7-8-17-10-15)14(20)18-12-9-11(16)5-6-13(12)19(2)3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeyQJOCGCFSQHPZMC-UHFFFAOYSA-N
XLogP2.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
N-[2-(dimethylamino)phenyl]-3-ethylpiperidine-3-carboxamide
CID 63131246
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140833
3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 63138345
N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140326
5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63143879
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 113286068
2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63722427

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide (CID 63139572) is N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2cc(Cl)ccc2N(C)C)CCNC1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is QJOCGCFSQHPZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-4-15(7-8-17-10-15)14(20)18-12-9-11(16)5-6-13(12)19(2)3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,20).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide?
N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).