2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide

C19H22ClNO5 — CID 171914731

IUPAC2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESCc1c(C)c2cc(Cl)c(OCC(=O)N[C@H]3CCCC[C@@H]3O)cc2oc1=O
InChIInChI=1S/C19H22ClNO5/c1-10-11(2)19(24)26-16-8-17(13(20)7-12(10)16)25-9-18(23)21-14-5-3-4-6-15(14)22/h7-8,14-15,22H,3-6,9H2,1-2H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyBELJWDTVLFOEHN-GJZGRUSLSA-N
MW379.84 g/mol
LogP2.86
Rot. Bonds4

About 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide

2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (PubChem CID 171914731) has the molecular formula C19H22ClNO5 and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
PubChem CID171914731
Molecular FormulaC19H22ClNO5
Molecular Weight379.84 g/mol
Exact Mass379.12
IUPAC Name2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESCc1c(C)c2cc(Cl)c(OCC(=O)N[C@H]3CCCC[C@@H]3O)cc2oc1=O
InChIInChI=1S/C19H22ClNO5/c1-10-11(2)19(24)26-16-8-17(13(20)7-12(10)16)25-9-18(23)21-14-5-3-4-6-15(14)22/h7-8,14-15,22H,3-6,9H2,1-2H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyBELJWDTVLFOEHN-GJZGRUSLSA-N
XLogP2.86
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 62367000
2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956953
2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956681
2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4907318
N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120577990
2-(3,6-dichloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 23986916
2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)-N-cyclopropylacetamide
CID 4908372
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957304
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7468906
methyl 2-[6-chloro-4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]acetate
CID 907261
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570406
2-[(2-chloro-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(3-hydroxypropyl)acetamide
CID 4903503

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (CID 171914731) is 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is Cc1c(C)c2cc(Cl)c(OCC(=O)N[C@H]3CCCC[C@@H]3O)cc2oc1=O.
What is the InChIKey of 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The InChIKey is BELJWDTVLFOEHN-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H22ClNO5/c1-10-11(2)19(24)26-16-8-17(13(20)7-12(10)16)25-9-18(23)21-14-5-3-4-6-15(14)22/h7-8,14-15,22H,3-6,9H2,1-2H3,(H,21,23)/t14-,15-/m0/s1.
What are the key properties of 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide has a molecular weight of 379.84 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 171914731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).