N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide

C15H16ClFN4O2 — CID 5297274

IUPACN'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide
SMILESCc1nccn1CCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H16ClFN4O2/c1-10-18-6-8-21(10)7-2-5-19-14(22)15(23)20-11-3-4-13(17)12(16)9-11/h3-4,6,8-9H,2,5,7H2,1H3,(H,19,22)(H,20,23)
InChIKeyGORCVHJNPWCYBP-UHFFFAOYSA-N
MW338.77 g/mol
LogP2.13
Rot. Bonds5

About N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide

N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide (PubChem CID 5297274) has the molecular formula C15H16ClFN4O2 and a molecular weight of 338.77 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide
PubChem CID5297274
Molecular FormulaC15H16ClFN4O2
Molecular Weight338.77 g/mol
Exact Mass338.09
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide
SMILESCc1nccn1CCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H16ClFN4O2/c1-10-18-6-8-21(10)7-2-5-19-14(22)15(23)20-11-3-4-13(17)12(16)9-11/h3-4,6,8-9H,2,5,7H2,1H3,(H,19,22)(H,20,23)
InChIKeyGORCVHJNPWCYBP-UHFFFAOYSA-N
XLogP2.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxyethyl)oxamide
CID 7585032
N'-(3-chloro-4-fluorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389821
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[3-(2-methylimidazol-1-yl)propyl]propanamide
CID 95625436
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 62538462
1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 51085276
N'-(3-chloro-4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
CID 90523603
1-(3-chloro-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)thiourea
CID 19573275
N'-(3-chloro-4-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892340
1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
CID 106554378
N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 72877104
N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519183

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide (CID 5297274) is N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide is Cc1nccn1CCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide?
The InChIKey is GORCVHJNPWCYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O2/c1-10-18-6-8-21(10)7-2-5-19-14(22)15(23)20-11-3-4-13(17)12(16)9-11/h3-4,6,8-9H,2,5,7H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide?
N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide has a molecular weight of 338.77 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide is sourced from PubChem (CID 5297274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).