N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide

C15H18ClN3O2 — CID 131941696

IUPACN-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide
SMILESCN(CCCOc1ccccc1Cl)C(=O)c1cncn1C
InChIInChI=1S/C15H18ClN3O2/c1-18(15(20)13-10-17-11-19(13)2)8-5-9-21-14-7-4-3-6-12(14)16/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKeyCZZCFTNZHRFLNX-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.61
Rot. Bonds6

About N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide

N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide (PubChem CID 131941696) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide
PubChem CID131941696
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide
SMILESCN(CCCOc1ccccc1Cl)C(=O)c1cncn1C
InChIInChI=1S/C15H18ClN3O2/c1-18(15(20)13-10-17-11-19(13)2)8-5-9-21-14-7-4-3-6-12(14)16/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKeyCZZCFTNZHRFLNX-UHFFFAOYSA-N
XLogP2.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide
CID 131889535
N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide
CID 131894203
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 17410585
N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103511075
N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131946611
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 62688700
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide (CID 131941696) is N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide is CN(CCCOc1ccccc1Cl)C(=O)c1cncn1C.
What is the InChIKey of N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide?
The InChIKey is CZZCFTNZHRFLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-18(15(20)13-10-17-11-19(13)2)8-5-9-21-14-7-4-3-6-12(14)16/h3-4,6-7,10-11H,5,8-9H2,1-2H3.
What are the key properties of N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide?
N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 131941696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).