N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide

C18H18FN3O2 — CID 108987038

IUPACN'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESO=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H18FN3O2/c19-13-3-5-14(6-4-13)20-17(23)18(24)21-15-7-9-16(10-8-15)22-11-1-2-12-22/h3-10H,1-2,11-12H2,(H,20,23)(H,21,24)
InChIKeyNKFPKUZUMWKUNK-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.00
Rot. Bonds3

About N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide

N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide (PubChem CID 108987038) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
PubChem CID108987038
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESO=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H18FN3O2/c19-13-3-5-14(6-4-13)20-17(23)18(24)21-15-7-9-16(10-8-15)22-11-1-2-12-22/h3-10H,1-2,11-12H2,(H,20,23)(H,21,24)
InChIKeyNKFPKUZUMWKUNK-UHFFFAOYSA-N
XLogP3.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987612
N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108527766
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108527759
(E)-2-cyano-N-(4-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 957135
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986203

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide (CID 108987038) is N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide is O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The InChIKey is NKFPKUZUMWKUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-13-3-5-14(6-4-13)20-17(23)18(24)21-15-7-9-16(10-8-15)22-11-1-2-12-22/h3-10H,1-2,11-12H2,(H,20,23)(H,21,24).
What are the key properties of N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide has a molecular weight of 327.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108987038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).