N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide

C18H17ClN2O3 — CID 71782201

IUPACN'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
SMILESO=C(NCC1(O)CCc2ccccc21)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O3/c19-14-7-3-4-8-15(14)21-17(23)16(22)20-11-18(24)10-9-12-5-1-2-6-13(12)18/h1-8,24H,9-11H2,(H,20,22)(H,21,23)
InChIKeySUCBVNVJQZGIGB-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.23
Rot. Bonds3

About N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide

N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide (PubChem CID 71782201) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
PubChem CID71782201
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
SMILESO=C(NCC1(O)CCc2ccccc21)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O3/c19-14-7-3-4-8-15(14)21-17(23)16(22)20-11-18(24)10-9-12-5-1-2-6-13(12)18/h1-8,24H,9-11H2,(H,20,22)(H,21,23)
InChIKeySUCBVNVJQZGIGB-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide
CID 111435658
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 90499157
1-(2,3-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 75387625
N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide
CID 111110774
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea
CID 90499217
1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499229
N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 95983192
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]adamantane-1-carboxamide
CID 90499031
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide
CID 71782153

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide (CID 71782201) is N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide is O=C(NCC1(O)CCc2ccccc21)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The InChIKey is SUCBVNVJQZGIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-14-7-3-4-8-15(14)21-17(23)16(22)20-11-18(24)10-9-12-5-1-2-6-13(12)18/h1-8,24H,9-11H2,(H,20,22)(H,21,23).
What are the key properties of N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide has a molecular weight of 344.80 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide is sourced from PubChem (CID 71782201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).