N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide

C18H15F3N2O2 — CID 42335594

IUPACN'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H15F3N2O2/c19-12-3-1-11(2-4-12)18(7-8-18)10-22-16(24)17(25)23-13-5-6-14(20)15(21)9-13/h1-6,9H,7-8,10H2,(H,22,24)(H,23,25)
InChIKeyWOVDJUOHKCILDJ-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.89
Rot. Bonds4

About N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide

N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide (PubChem CID 42335594) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
PubChem CID42335594
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H15F3N2O2/c19-12-3-1-11(2-4-12)18(7-8-18)10-22-16(24)17(25)23-13-5-6-14(20)15(21)9-13/h1-6,9H,7-8,10H2,(H,22,24)(H,23,25)
InChIKeyWOVDJUOHKCILDJ-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214427
N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
CID 42335602
1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113215039
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 27453183
N'-(4-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 23606974
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 27453070
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 42335571
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
ethyl 2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoacetate
CID 110481833
1-(4-cyanophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214424
N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 42335583

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide (CID 42335594) is N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide is O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide?
The InChIKey is WOVDJUOHKCILDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-12-3-1-11(2-4-12)18(7-8-18)10-22-16(24)17(25)23-13-5-6-14(20)15(21)9-13/h1-6,9H,7-8,10H2,(H,22,24)(H,23,25).
What are the key properties of N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide?
N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide has a molecular weight of 348.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide is sourced from PubChem (CID 42335594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).