N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide

C14H17ClFN5O2 — CID 78129283

IUPACN'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide
SMILESNC(N)=NC1CCCC1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H17ClFN5O2/c15-8-5-4-7(6-9(8)16)19-12(22)13(23)20-10-2-1-3-11(10)21-14(17)18/h4-6,10-11H,1-3H2,(H,19,22)(H,20,23)(H4,17,18,21)
InChIKeyAJVLSJHRBQXMCZ-UHFFFAOYSA-N
MW341.77 g/mol
LogP0.73
Rot. Bonds3

About N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide

N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide (PubChem CID 78129283) has the molecular formula C14H17ClFN5O2 and a molecular weight of 341.77 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide
PubChem CID78129283
Molecular FormulaC14H17ClFN5O2
Molecular Weight341.77 g/mol
Exact Mass341.11
IUPAC NameN'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide
SMILESNC(N)=NC1CCCC1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H17ClFN5O2/c15-8-5-4-7(6-9(8)16)19-12(22)13(23)20-10-2-1-3-11(10)21-14(17)18/h4-6,10-11H,1-3H2,(H,19,22)(H,20,23)(H4,17,18,21)
InChIKeyAJVLSJHRBQXMCZ-UHFFFAOYSA-N
XLogP0.73
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chloro-3-fluorophenyl)-N-[(10S,11S)-10-(diaminomethylideneamino)-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-11-yl]oxamide
CID 71603454
N'-(4-chloro-3-fluorophenyl)oxamide
CID 70886699
N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490898
N-[5-[[[amino-[fluoro(methyl)amino]methylidene]amino]methyl]-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)oxamide
CID 164540625
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
N'-(4-chloro-3-fluorophenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 46198843
N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide
CID 111798888
N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide
CID 54955496
N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide
CID 46200212
tert-butyl (3R,4R)-3-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-4-hydroxypyrrolidine-1-carboxylate
CID 46199133
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide (CID 78129283) is N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide is NC(N)=NC1CCCC1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide?
The InChIKey is AJVLSJHRBQXMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN5O2/c15-8-5-4-7(6-9(8)16)19-12(22)13(23)20-10-2-1-3-11(10)21-14(17)18/h4-6,10-11H,1-3H2,(H,19,22)(H,20,23)(H4,17,18,21).
What are the key properties of N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide?
N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide has a molecular weight of 341.77 g/mol, XLogP of 0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide is sourced from PubChem (CID 78129283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).