N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide

C14H17FN4O — CID 106104820

IUPACN-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide
SMILESCn1ccc(CCNCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C14H17FN4O/c1-19-9-7-11(18-19)6-8-16-10-14(20)17-13-5-3-2-4-12(13)15/h2-5,7,9,16H,6,8,10H2,1H3,(H,17,20)
InChIKeyMMHWPVDYWYHZQW-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.33
Rot. Bonds6

About N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide

N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide (PubChem CID 106104820) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide
PubChem CID106104820
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide
SMILESCn1ccc(CCNCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C14H17FN4O/c1-19-9-7-11(18-19)6-8-16-10-14(20)17-13-5-3-2-4-12(13)15/h2-5,7,9,16H,6,8,10H2,1H3,(H,17,20)
InChIKeyMMHWPVDYWYHZQW-UHFFFAOYSA-N
XLogP1.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide
CID 102805391
2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 19619185
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 28568733
2-(2-methoxyethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105035
N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515633
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2-fluorophenyl)acetamide
CID 103820304
2-fluoro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 104626482
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide (CID 106104820) is N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide is Cn1ccc(CCNCC(=O)Nc2ccccc2F)n1.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide?
The InChIKey is MMHWPVDYWYHZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-19-9-7-11(18-19)6-8-16-10-14(20)17-13-5-3-2-4-12(13)15/h2-5,7,9,16H,6,8,10H2,1H3,(H,17,20).
What are the key properties of N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide?
N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide has a molecular weight of 276.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 106104820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).