2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide

C16H19ClFN3O — CID 91784001

IUPAC2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide
SMILESCN(CCCc1nccn1C)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFN3O/c1-20-10-8-19-15(20)7-4-9-21(2)16(22)11-12-13(17)5-3-6-14(12)18/h3,5-6,8,10H,4,7,9,11H2,1-2H3
InChIKeyVDAWZCJPGLUZKZ-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.85
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide (PubChem CID 91784001) has the molecular formula C16H19ClFN3O and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide
PubChem CID91784001
Molecular FormulaC16H19ClFN3O
Molecular Weight323.80 g/mol
Exact Mass323.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide
SMILESCN(CCCc1nccn1C)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFN3O/c1-20-10-8-19-15(20)7-4-9-21(2)16(22)11-12-13(17)5-3-6-14(12)18/h3,5-6,8,10H,4,7,9,11H2,1-2H3
InChIKeyVDAWZCJPGLUZKZ-UHFFFAOYSA-N
XLogP2.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 86284652
3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91778192
1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751317
3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 72892737
1-[(2-chloro-6-fluorophenyl)methyl]-1,2-dimethyl-3-[(1-methylimidazol-2-yl)methyl]guanidine
CID 119131664
(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide
CID 125158267
2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91789836
1-(2-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529460
2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide
CID 54990812
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
(3R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97143444
3-(3-fluoro-5-methylphenyl)-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea
CID 118794217

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide (CID 91784001) is 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide is CN(CCCc1nccn1C)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide?
The InChIKey is VDAWZCJPGLUZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O/c1-20-10-8-19-15(20)7-4-9-21(2)16(22)11-12-13(17)5-3-6-14(12)18/h3,5-6,8,10H,4,7,9,11H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide has a molecular weight of 323.80 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 91784001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).