N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide

C22H18ClN3O4 — CID 58024311

IUPACN-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide
SMILESCc1cc(NC(=O)CNc2cccc(Oc3ccnc4c3OC(=O)C4)c2)ccc1Cl
InChIInChI=1S/C22H18ClN3O4/c1-13-9-15(5-6-17(13)23)26-20(27)12-25-14-3-2-4-16(10-14)29-19-7-8-24-18-11-21(28)30-22(18)19/h2-10,25H,11-12H2,1H3,(H,26,27)
InChIKeyHBZXVTDXLHPERD-UHFFFAOYSA-N
MW423.86 g/mol
LogP4.35
Rot. Bonds6

About N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide

N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide (PubChem CID 58024311) has the molecular formula C22H18ClN3O4 and a molecular weight of 423.86 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide
PubChem CID58024311
Molecular FormulaC22H18ClN3O4
Molecular Weight423.86 g/mol
Exact Mass423.10
IUPAC NameN-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide
SMILESCc1cc(NC(=O)CNc2cccc(Oc3ccnc4c3OC(=O)C4)c2)ccc1Cl
InChIInChI=1S/C22H18ClN3O4/c1-13-9-15(5-6-17(13)23)26-20(27)12-25-14-3-2-4-16(10-14)29-19-7-8-24-18-11-21(28)30-22(18)19/h2-10,25H,11-12H2,1H3,(H,26,27)
InChIKeyHBZXVTDXLHPERD-UHFFFAOYSA-N
XLogP4.35
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811847
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54815945
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 109009071
2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811716
N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815838
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 87029713
N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54824232
2-[4-[(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-7-yl)oxy]anilino]-N-phenylacetamide
CID 11538073
N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827735
2-(3,4-dichloroanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 4796501
2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54819041

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide (CID 58024311) is N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide is Cc1cc(NC(=O)CNc2cccc(Oc3ccnc4c3OC(=O)C4)c2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide?
The InChIKey is HBZXVTDXLHPERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4/c1-13-9-15(5-6-17(13)23)26-20(27)12-25-14-3-2-4-16(10-14)29-19-7-8-24-18-11-21(28)30-22(18)19/h2-10,25H,11-12H2,1H3,(H,26,27).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide?
N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide has a molecular weight of 423.86 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide is sourced from PubChem (CID 58024311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).