N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide

C20H20FN3O3 — CID 71788710

IUPACN'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2cn(C)c3ccccc23)cc1F
InChIInChI=1S/C20H20FN3O3/c1-12-7-8-13(9-16(12)21)23-20(27)19(26)22-10-18(25)15-11-24(2)17-6-4-3-5-14(15)17/h3-9,11,18,25H,10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyBTJFKZDPGBCQQT-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.41
Rot. Bonds4

About N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide

N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide (PubChem CID 71788710) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
PubChem CID71788710
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2cn(C)c3ccccc23)cc1F
InChIInChI=1S/C20H20FN3O3/c1-12-7-8-13(9-16(12)21)23-20(27)19(26)22-10-18(25)15-11-24(2)17-6-4-3-5-14(15)17/h3-9,11,18,25H,10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyBTJFKZDPGBCQQT-UHFFFAOYSA-N
XLogP2.41
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535242
N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535276
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535246
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 90535235
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90535296
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-pyridin-3-yloxamide
CID 97414117
1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801401
N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide
CID 167915427
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 90490965
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 95986752
N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71788718
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide (CID 71788710) is N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC(O)c2cn(C)c3ccccc23)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The InChIKey is BTJFKZDPGBCQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-12-7-8-13(9-16(12)21)23-20(27)19(26)22-10-18(25)15-11-24(2)17-6-4-3-5-14(15)17/h3-9,11,18,25H,10H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide has a molecular weight of 369.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide is sourced from PubChem (CID 71788710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).