N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide

C16H14ClFN2O3 — CID 110922387

IUPACN'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide
SMILESO=C(NCc1ccccc1CO)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H14ClFN2O3/c17-12-5-6-13(18)14(7-12)20-16(23)15(22)19-8-10-3-1-2-4-11(10)9-21/h1-7,21H,8-9H2,(H,19,22)(H,20,23)
InChIKeyPGIYHRDGOKVDKG-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.23
Rot. Bonds4

About N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide

N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide (PubChem CID 110922387) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide
PubChem CID110922387
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC NameN'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide
SMILESO=C(NCc1ccccc1CO)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H14ClFN2O3/c17-12-5-6-13(18)14(7-12)20-16(23)15(22)19-8-10-3-1-2-4-11(10)9-21/h1-7,21H,8-9H2,(H,19,22)(H,20,23)
InChIKeyPGIYHRDGOKVDKG-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
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'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108501079
N'-(5-chloro-2-hydroxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108519764
N-[(2-fluorophenyl)methyl]-N'-(2-hydroxyphenyl)oxamide
CID 108514358
2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110909050
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647
2-(5-chloro-2-fluoroanilino)-2-oxoacetic acid
CID 43444985
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108984915
N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108520475
2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide
CID 44519506
N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
CID 16769009
N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]oxamide
CID 111435524
N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
CID 111435584

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide?
The IUPAC name of N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide (CID 110922387) is N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide is O=C(NCc1ccccc1CO)C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide?
The InChIKey is PGIYHRDGOKVDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c17-12-5-6-13(18)14(7-12)20-16(23)15(22)19-8-10-3-1-2-4-11(10)9-21/h1-7,21H,8-9H2,(H,19,22)(H,20,23).
What are the key properties of N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide?
N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide has a molecular weight of 336.75 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide is sourced from PubChem (CID 110922387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).