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

C19H18ClFN2O3 — CID 97105855

IUPACN'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide
SMILESO=C(NC[C@]1(O)CCc2ccccc2C1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H18ClFN2O3/c20-15-9-14(5-6-16(15)21)23-18(25)17(24)22-11-19(26)8-7-12-3-1-2-4-13(12)10-19/h1-6,9,26H,7-8,10-11H2,(H,22,24)(H,23,25)/t19-/m0/s1
InChIKeyZGBLBLXAIAKBBP-IBGZPJMESA-N
MW376.82 g/mol
LogP2.45
Rot. Bonds3

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

N'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide (PubChem CID 97105855) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide
PubChem CID97105855
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide
SMILESO=C(NC[C@]1(O)CCc2ccccc2C1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H18ClFN2O3/c20-15-9-14(5-6-16(15)21)23-18(25)17(24)22-11-19(26)8-7-12-3-1-2-4-13(12)10-19/h1-6,9,26H,7-8,10-11H2,(H,22,24)(H,23,25)/t19-/m0/s1
InChIKeyZGBLBLXAIAKBBP-IBGZPJMESA-N
XLogP2.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 52.45
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'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide (CID 97105855) is N'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide is O=C(NC[C@]1(O)CCc2ccccc2C1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide?
The InChIKey is ZGBLBLXAIAKBBP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c20-15-9-14(5-6-16(15)21)23-18(25)17(24)22-11-19(26)8-7-12-3-1-2-4-13(12)10-19/h1-6,9,26H,7-8,10-11H2,(H,22,24)(H,23,25)/t19-/m0/s1.
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide?
N'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide has a molecular weight of 376.82 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]oxamide is sourced from PubChem (CID 97105855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).