2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

C17H21FN4O2 — CID 95900120

IUPAC2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1ncn(CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1C
InChIInChI=1S/C17H21FN4O2/c1-11-13(3)22(10-20-11)9-17(24)19-8-16(23)21-12(2)14-4-6-15(18)7-5-14/h4-7,10,12H,8-9H2,1-3H3,(H,19,24)(H,21,23)/t12-/m0/s1
InChIKeyJYTDDNJPFMWDLJ-LBPRGKRZSA-N
MW332.38 g/mol
LogP1.63
Rot. Bonds6

About 2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 95900120) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID95900120
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1ncn(CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1C
InChIInChI=1S/C17H21FN4O2/c1-11-13(3)22(10-20-11)9-17(24)19-8-16(23)21-12(2)14-4-6-15(18)7-5-14/h4-7,10,12H,8-9H2,1-3H3,(H,19,24)(H,21,23)/t12-/m0/s1
InChIKeyJYTDDNJPFMWDLJ-LBPRGKRZSA-N
XLogP1.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 51865491
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 40789946
2-(4,5-dimethylimidazol-1-yl)-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 125166958
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914722
2-(4,5-dimethylimidazol-1-yl)acetohydrazide
CID 63577093
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 55443771
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714
N-[1-(4-fluorophenyl)ethyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 46817865
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9426580

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (CID 95900120) is 2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is Cc1ncn(CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1C.
What is the InChIKey of 2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is JYTDDNJPFMWDLJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11-13(3)22(10-20-11)9-17(24)19-8-16(23)21-12(2)14-4-6-15(18)7-5-14/h4-7,10,12H,8-9H2,1-3H3,(H,19,24)(H,21,23)/t12-/m0/s1.
What are the key properties of 2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 332.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 95900120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).