N'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide

C17H15ClFN4O3- — CID 91110990

IUPACN'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide
SMILES[CH2-]C(NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1N
InChIInChI=1S/C17H15ClFN4O3/c1-9(15(24)23-14-5-3-2-4-13(14)20)21-16(25)17(26)22-10-6-7-11(18)12(19)8-10/h2-9H,1,20H2,(H,21,25)(H,22,26)(H,23,24)/q-1
InChIKeyCRFHGTACIIIOJD-UHFFFAOYSA-N
MW377.78 g/mol
LogP1.96
Rot. Bonds4

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

N'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide (PubChem CID 91110990) has the molecular formula C17H15ClFN4O3- and a molecular weight of 377.78 g/mol. Its IUPAC name is N'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide
PubChem CID91110990
Molecular FormulaC17H15ClFN4O3-
Molecular Weight377.78 g/mol
Exact Mass377.08
IUPAC NameN'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide
SMILES[CH2-]C(NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1N
InChIInChI=1S/C17H15ClFN4O3/c1-9(15(24)23-14-5-3-2-4-13(14)20)21-16(25)17(26)22-10-6-7-11(18)12(19)8-10/h2-9H,1,20H2,(H,21,25)(H,22,26)(H,23,24)/q-1
InChIKeyCRFHGTACIIIOJD-UHFFFAOYSA-N
XLogP1.96
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-(4-chloro-3-fluorophenyl)acetamide
CID 61466448
1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16772839
N'-(4-chloro-3-fluorophenyl)oxamide
CID 70886699
N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798976
N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
CID 108507997
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride
CID 119281097
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide
CID 43708823
N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide
CID 54955496
N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide
CID 63107936
N'-(2,3-dichlorophenyl)-N-(3,4-difluorophenyl)oxamide
CID 108987778

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide?
The IUPAC name of N'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide (CID 91110990) is N'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide.
What is the SMILES notation for N'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide?
The canonical SMILES for N'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide is [CH2-]C(NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1N.
What is the InChIKey of N'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide?
The InChIKey is CRFHGTACIIIOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN4O3/c1-9(15(24)23-14-5-3-2-4-13(14)20)21-16(25)17(26)22-10-6-7-11(18)12(19)8-10/h2-9H,1,20H2,(H,21,25)(H,22,26)(H,23,24)/q-1.
What are the key properties of N'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide?
N'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide has a molecular weight of 377.78 g/mol, XLogP of 1.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-aminoanilino)-1-oxopropan-2-yl]-N-(4-chloro-3-fluorophenyl)oxamide is sourced from PubChem (CID 91110990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).