N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide

C17H14ClFN2O3 — CID 46198838

IUPACN'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C17H14ClFN2O3/c18-12-6-5-10(8-13(12)19)20-16(23)17(24)21-15-11-4-2-1-3-9(11)7-14(15)22/h1-6,8,14-15,22H,7H2,(H,20,23)(H,21,24)/t14-,15-/m0/s1
InChIKeyFGOUDIWDTPGUNI-GJZGRUSLSA-N
MW348.76 g/mol
LogP2.19
Rot. Bonds2

About N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide

N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide (PubChem CID 46198838) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
PubChem CID46198838
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC NameN'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C17H14ClFN2O3/c18-12-6-5-10(8-13(12)19)20-16(23)17(24)21-15-11-4-2-1-3-9(11)7-14(15)22/h1-6,8,14-15,22H,7H2,(H,20,23)(H,21,24)/t14-,15-/m0/s1
InChIKeyFGOUDIWDTPGUNI-GJZGRUSLSA-N
XLogP2.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide (CID 46198838) is N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide is O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide?
The InChIKey is FGOUDIWDTPGUNI-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c18-12-6-5-10(8-13(12)19)20-16(23)17(24)21-15-11-4-2-1-3-9(11)7-14(15)22/h1-6,8,14-15,22H,7H2,(H,20,23)(H,21,24)/t14-,15-/m0/s1.
What are the key properties of N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide?
N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide has a molecular weight of 348.76 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-fluorophenyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide is sourced from PubChem (CID 46198838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).