N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide

C12H14ClFN2O2 — CID 44999475

IUPACN-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
SMILESCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C12H14ClFN2O2/c1-2-3-6-15-11(17)12(18)16-10-5-4-8(13)7-9(10)14/h4-5,7H,2-3,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyFWDCEKHXPBIRPI-UHFFFAOYSA-N
MW272.71 g/mol
LogP2.33
Rot. Bonds4

About N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide

N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide (PubChem CID 44999475) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
PubChem CID44999475
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC NameN-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
SMILESCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C12H14ClFN2O2/c1-2-3-6-15-11(17)12(18)16-10-5-4-8(13)7-9(10)14/h4-5,7H,2-3,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyFWDCEKHXPBIRPI-UHFFFAOYSA-N
XLogP2.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
CID 44999477
N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084
N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
CID 124624749
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528
N-butyl-2-(4-chloro-2-fluoroanilino)propanamide
CID 60721606
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
methyl 4-[(4-chloro-2-fluorophenyl)carbamothioylamino]butanoate
CID 9053459

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide?
The IUPAC name of N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide (CID 44999475) is N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide.
What is the SMILES notation for N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide?
The canonical SMILES for N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide is CCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide?
The InChIKey is FWDCEKHXPBIRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c1-2-3-6-15-11(17)12(18)16-10-5-4-8(13)7-9(10)14/h4-5,7H,2-3,6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide?
N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide has a molecular weight of 272.71 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide is sourced from PubChem (CID 44999475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).