N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide

C14H14FN3O2 — CID 99605413

IUPACN'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCc2ccc[nH]2)c1F
InChIInChI=1S/C14H14FN3O2/c1-9-4-2-6-11(12(9)15)18-14(20)13(19)17-8-10-5-3-7-16-10/h2-7,16H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyWDWKPASOVNMQOK-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.72
Rot. Bonds3

About N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide

N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide (PubChem CID 99605413) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide
PubChem CID99605413
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCc2ccc[nH]2)c1F
InChIInChI=1S/C14H14FN3O2/c1-9-4-2-6-11(12(9)15)18-14(20)13(19)17-8-10-5-3-7-16-10/h2-7,16H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyWDWKPASOVNMQOK-UHFFFAOYSA-N
XLogP1.72
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
N'-(1H-pyrrol-2-ylmethyl)oxamide
CID 115191836
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62339580
1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 114254796
N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide
CID 86856678
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47457450
N'-(2-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174333
3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110445664
1-[2-(3-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea
CID 110469779

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide?
The IUPAC name of N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide (CID 99605413) is N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide is Cc1cccc(NC(=O)C(=O)NCc2ccc[nH]2)c1F.
What is the InChIKey of N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide?
The InChIKey is WDWKPASOVNMQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9-4-2-6-11(12(9)15)18-14(20)13(19)17-8-10-5-3-7-16-10/h2-7,16H,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide?
N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide has a molecular weight of 275.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide is sourced from PubChem (CID 99605413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).