N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide

C19H19ClN2O3 — CID 90581292

IUPACN'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
SMILESO=C(NCC1(O)CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c20-15-5-7-16(8-6-15)22-18(24)17(23)21-12-19(25)10-9-13-3-1-2-4-14(13)11-19/h1-8,25H,9-12H2,(H,21,23)(H,22,24)
InChIKeyFTUWMGBHRHEZBW-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.31
Rot. Bonds3

About N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide

N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide (PubChem CID 90581292) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
PubChem CID90581292
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
SMILESO=C(NCC1(O)CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c20-15-5-7-16(8-6-15)22-18(24)17(23)21-12-19(25)10-9-13-3-1-2-4-14(13)11-19/h1-8,25H,9-12H2,(H,21,23)(H,22,24)
InChIKeyFTUWMGBHRHEZBW-UHFFFAOYSA-N
XLogP2.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.31
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'-(5-chloro-2-cyanophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581320
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea
CID 90581348
1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea
CID 97107626
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 90581299
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042707
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042706
1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea
CID 90581362
methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032
N'-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97042696
3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide
CID 97042590
5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide
CID 97042595

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide (CID 90581292) is N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide is O=C(NCC1(O)CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide?
The InChIKey is FTUWMGBHRHEZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-15-5-7-16(8-6-15)22-18(24)17(23)21-12-19(25)10-9-13-3-1-2-4-14(13)11-19/h1-8,25H,9-12H2,(H,21,23)(H,22,24).
What are the key properties of N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide?
N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide has a molecular weight of 358.83 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide is sourced from PubChem (CID 90581292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).