[4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate

C20H16ClN3O5 — CID 91524506

IUPAC[4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(Oc2cccc(C(=O)Nc3ccc(Cl)cc3O)c2)ccn1
InChIInChI=1S/C20H16ClN3O5/c1-22-20(27)29-18-11-15(7-8-23-18)28-14-4-2-3-12(9-14)19(26)24-16-6-5-13(21)10-17(16)25/h2-11,25H,1H3,(H,22,27)(H,24,26)
InChIKeyCYCIZHWCVABGRZ-UHFFFAOYSA-N
MW413.82 g/mol
LogP4.20
Rot. Bonds5

About [4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate

[4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate (PubChem CID 91524506) has the molecular formula C20H16ClN3O5 and a molecular weight of 413.82 g/mol. Its IUPAC name is [4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate
PubChem CID91524506
Molecular FormulaC20H16ClN3O5
Molecular Weight413.82 g/mol
Exact Mass413.08
IUPAC Name[4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(Oc2cccc(C(=O)Nc3ccc(Cl)cc3O)c2)ccn1
InChIInChI=1S/C20H16ClN3O5/c1-22-20(27)29-18-11-15(7-8-23-18)28-14-4-2-3-12(9-14)19(26)24-16-6-5-13(21)10-17(16)25/h2-11,25H,1H3,(H,22,27)(H,24,26)
InChIKeyCYCIZHWCVABGRZ-UHFFFAOYSA-N
XLogP4.20
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.82
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11429828
N-(6-chloroquinolin-4-yl)-3-methoxybenzamide
CID 17016577
[4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate
CID 67772888
3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide
CID 17149678
N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide
CID 2092667
N-(4-chloro-2-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110859208
N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide
CID 103766634
N-(3-chloro-4-fluorophenyl)-3-pyridin-4-yloxybenzamide
CID 91103914
3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 60827348
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide
CID 48667099
N-(2,5-dimethoxyphenyl)-3-pyridin-2-yloxybenzamide
CID 90596489

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate?
The IUPAC name of [4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate (CID 91524506) is [4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate.
What is the SMILES notation for [4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate?
The canonical SMILES for [4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate is CNC(=O)Oc1cc(Oc2cccc(C(=O)Nc3ccc(Cl)cc3O)c2)ccn1.
What is the InChIKey of [4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate?
The InChIKey is CYCIZHWCVABGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O5/c1-22-20(27)29-18-11-15(7-8-23-18)28-14-4-2-3-12(9-14)19(26)24-16-6-5-13(21)10-17(16)25/h2-11,25H,1H3,(H,22,27)(H,24,26).
What are the key properties of [4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate?
[4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate has a molecular weight of 413.82 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate is sourced from PubChem (CID 91524506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).