N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide

C21H21FN4O2 — CID 86831517

IUPACN'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide
SMILESCC(Cc1ccccc1F)NC(=O)C(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H21FN4O2/c1-15(12-17-7-2-3-9-19(17)22)24-20(27)21(28)25-18-8-4-6-16(13-18)14-26-11-5-10-23-26/h2-11,13,15H,12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyIGCMSEIIEFGHCF-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.76
Rot. Bonds6

About N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide

N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide (PubChem CID 86831517) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide
PubChem CID86831517
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide
SMILESCC(Cc1ccccc1F)NC(=O)C(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H21FN4O2/c1-15(12-17-7-2-3-9-19(17)22)24-20(27)21(28)25-18-8-4-6-16(13-18)14-26-11-5-10-23-26/h2-11,13,15H,12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyIGCMSEIIEFGHCF-UHFFFAOYSA-N
XLogP2.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 87039923
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide
CID 86831524
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
CID 55629793
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46424038
3-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
CID 55610798
(2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 95309999

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide?
The IUPAC name of N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide (CID 86831517) is N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide.
What is the SMILES notation for N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide?
The canonical SMILES for N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide is CC(Cc1ccccc1F)NC(=O)C(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide?
The InChIKey is IGCMSEIIEFGHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-15(12-17-7-2-3-9-19(17)22)24-20(27)21(28)25-18-8-4-6-16(13-18)14-26-11-5-10-23-26/h2-11,13,15H,12,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide?
N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide has a molecular weight of 380.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide is sourced from PubChem (CID 86831517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).