6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

C23H23ClN2O5 — CID 3171582

IUPAC6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCC2CCCO2)c(OC)c1
InChIInChI=1S/C23H23ClN2O5/c1-28-16-6-7-19(21(12-16)29-2)26-23-18(22(27)25-13-17-4-3-9-30-17)11-14-10-15(24)5-8-20(14)31-23/h5-8,10-12,17H,3-4,9,13H2,1-2H3,(H,25,27)/b26-23-
InChIKeyMXXDSUABQCWADM-RWEWTDSWSA-N
MW442.90 g/mol
LogP4.24
Rot. Bonds6

About 6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (PubChem CID 3171582) has the molecular formula C23H23ClN2O5 and a molecular weight of 442.90 g/mol. Its IUPAC name is 6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
PubChem CID3171582
Molecular FormulaC23H23ClN2O5
Molecular Weight442.90 g/mol
Exact Mass442.13
IUPAC Name6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCC2CCCO2)c(OC)c1
InChIInChI=1S/C23H23ClN2O5/c1-28-16-6-7-19(21(12-16)29-2)26-23-18(22(27)25-13-17-4-3-9-30-17)11-14-10-15(24)5-8-20(14)31-23/h5-8,10-12,17H,3-4,9,13H2,1-2H3,(H,25,27)/b26-23-
InChIKeyMXXDSUABQCWADM-RWEWTDSWSA-N
XLogP4.24
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-(4-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184892
6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184968
6-chloro-2-(4-chloro-2-fluorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184948
6-chloro-2-(5-chloro-2-fluorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184990
6-chloro-2-(2,4-dimethylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184888
2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3171568
6-chloro-2-(2,5-dimethylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184890
methyl 4-[[6-chloro-3-[[(2R)-oxolan-2-yl]methylcarbamoyl]chromen-2-ylidene]amino]benzoate
CID 95184915
6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366998
2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135496484
6-bromo-2-(5-chloro-2-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184843
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
CID 95184885

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (CID 3171582) is 6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCC2CCCO2)c(OC)c1.
What is the InChIKey of 6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is MXXDSUABQCWADM-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H23ClN2O5/c1-28-16-6-7-19(21(12-16)29-2)26-23-18(22(27)25-13-17-4-3-9-30-17)11-14-10-15(24)5-8-20(14)31-23/h5-8,10-12,17H,3-4,9,13H2,1-2H3,(H,25,27)/b26-23-.
What are the key properties of 6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 3171582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).