acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide

C18H25FN4O4 — CID 154906225

IUPACacetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
SMILESCC(=O)O.Cc1cc(CC(C)NC(=O)c2cc(F)ccc2OCCN)n[nH]1
InChIInChI=1S/C16H21FN4O2.C2H4O2/c1-10(7-13-8-11(2)20-21-13)19-16(22)14-9-12(17)3-4-15(14)23-6-5-18;1-2(3)4/h3-4,8-10H,5-7,18H2,1-2H3,(H,19,22)(H,20,21);1H3,(H,3,4)
InChIKeyKWUNKMJOCNJXOI-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.65
Rot. Bonds7

About acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide

acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide (PubChem CID 154906225) has the molecular formula C18H25FN4O4 and a molecular weight of 380.42 g/mol. Its IUPAC name is acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Nameacetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
PubChem CID154906225
Molecular FormulaC18H25FN4O4
Molecular Weight380.42 g/mol
Exact Mass380.19
IUPAC Nameacetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
SMILESCC(=O)O.Cc1cc(CC(C)NC(=O)c2cc(F)ccc2OCCN)n[nH]1
InChIInChI=1S/C16H21FN4O2.C2H4O2/c1-10(7-13-8-11(2)20-21-13)19-16(22)14-9-12(17)3-4-15(14)23-6-5-18;1-2(3)4/h3-4,8-10H,5-7,18H2,1-2H3,(H,19,22)(H,20,21);1H3,(H,3,4)
InChIKeyKWUNKMJOCNJXOI-UHFFFAOYSA-N
XLogP1.65
TPSA130.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
CID 72922137
2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride
CID 166174909
2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
CID 118781955
2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide
CID 119064151
5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 95202437
4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide
CID 136515931
1-(3-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 97069201
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 95219990
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 126432960
1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide
CID 56905367
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea
CID 99595123
1-(2-cyano-4-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99715677

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
The IUPAC name of acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide (CID 154906225) is acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
The canonical SMILES for acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide is CC(=O)O.Cc1cc(CC(C)NC(=O)c2cc(F)ccc2OCCN)n[nH]1.
What is the InChIKey of acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
The InChIKey is KWUNKMJOCNJXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2.C2H4O2/c1-10(7-13-8-11(2)20-21-13)19-16(22)14-9-12(17)3-4-15(14)23-6-5-18;1-2(3)4/h3-4,8-10H,5-7,18H2,1-2H3,(H,19,22)(H,20,21);1H3,(H,3,4).
What are the key properties of acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide has a molecular weight of 380.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 154906225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).