N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide

C15H20ClN5O2 — CID 126834800

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)N1CC(N2CCNC2=O)C1
InChIInChI=1S/C15H20ClN5O2/c1-19(2)13-11(16)4-3-5-12(13)18-15(23)20-8-10(9-20)21-7-6-17-14(21)22/h3-5,10H,6-9H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyMCUFGLYTYYECKI-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.65
Rot. Bonds3

About N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide

N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide (PubChem CID 126834800) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide
PubChem CID126834800
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)N1CC(N2CCNC2=O)C1
InChIInChI=1S/C15H20ClN5O2/c1-19(2)13-11(16)4-3-5-12(13)18-15(23)20-8-10(9-20)21-7-6-17-14(21)22/h3-5,10H,6-9H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyMCUFGLYTYYECKI-UHFFFAOYSA-N
XLogP1.65
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257815
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 61154948
N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140017
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93265591
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 55700862
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868200
4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide
CID 43789870
N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide
CID 63121972
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46485417

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide (CID 126834800) is N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide is CN(C)c1c(Cl)cccc1NC(=O)N1CC(N2CCNC2=O)C1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide?
The InChIKey is MCUFGLYTYYECKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c1-19(2)13-11(16)4-3-5-12(13)18-15(23)20-8-10(9-20)21-7-6-17-14(21)22/h3-5,10H,6-9H2,1-2H3,(H,17,22)(H,18,23).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide?
N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-oxoimidazolidin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 126834800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).