N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide

C19H19FN2O3 — CID 95615042

IUPACN-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide
SMILESCOCc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ccc(F)cc32)c1
InChIInChI=1S/C19H19FN2O3/c1-25-11-12-3-2-4-15(9-12)21-18(23)19(24)22-17-8-6-13-5-7-14(20)10-16(13)17/h2-5,7,9-10,17H,6,8,11H2,1H3,(H,21,23)(H,22,24)/t17-/m1/s1
InChIKeyBZPQQAWNLRWUGQ-QGZVFWFLSA-N
MW342.37 g/mol
LogP2.71
Rot. Bonds4

About N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide

N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide (PubChem CID 95615042) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide
PubChem CID95615042
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide
SMILESCOCc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ccc(F)cc32)c1
InChIInChI=1S/C19H19FN2O3/c1-25-11-12-3-2-4-15(9-12)21-18(23)19(24)22-17-8-6-13-5-7-14(20)10-16(13)17/h2-5,7,9-10,17H,6,8,11H2,1H3,(H,21,23)(H,22,24)/t17-/m1/s1
InChIKeyBZPQQAWNLRWUGQ-QGZVFWFLSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide
CID 95307520
5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 115918170
N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 43672235
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
CID 86988690
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833
3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
CID 99856543
2-(cyclopentylamino)-N-[3-(methoxymethyl)phenyl]acetamide
CID 60847107
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 111538143
N-[4-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfamoyl]phenyl]acetamide
CID 95317507
2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815752

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide?
The IUPAC name of N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide (CID 95615042) is N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide.
What is the SMILES notation for N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide?
The canonical SMILES for N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide is COCc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ccc(F)cc32)c1.
What is the InChIKey of N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide?
The InChIKey is BZPQQAWNLRWUGQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-25-11-12-3-2-4-15(9-12)21-18(23)19(24)22-17-8-6-13-5-7-14(20)10-16(13)17/h2-5,7,9-10,17H,6,8,11H2,1H3,(H,21,23)(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide?
N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide has a molecular weight of 342.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide is sourced from PubChem (CID 95615042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).