2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide

C23H23ClN2O4 — CID 95185082

IUPAC2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3cccc(Cl)c3C)oc12
InChIInChI=1S/C23H23ClN2O4/c1-14-18(24)8-4-9-19(14)26-23-17(22(27)25-13-16-7-5-11-29-16)12-15-6-3-10-20(28-2)21(15)30-23/h3-4,6,8-10,12,16H,5,7,11,13H2,1-2H3,(H,25,27)/b26-23-/t16-/m0/s1
InChIKeyQMKDZWOSYPKVAM-BTAOAOQOSA-N
MW426.90 g/mol
LogP4.54
Rot. Bonds5

About 2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide

2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (PubChem CID 95185082) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
PubChem CID95185082
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Name2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3cccc(Cl)c3C)oc12
InChIInChI=1S/C23H23ClN2O4/c1-14-18(24)8-4-9-19(14)26-23-17(22(27)25-13-16-7-5-11-29-16)12-15-6-3-10-20(28-2)21(15)30-23/h3-4,6,8-10,12,16H,5,7,11,13H2,1-2H3,(H,25,27)/b26-23-/t16-/m0/s1
InChIKeyQMKDZWOSYPKVAM-BTAOAOQOSA-N
XLogP4.54
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-2-fluorophenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185062
2-(2-chloro-5-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185059
2-(4-fluorophenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1135040
2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51367191
2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185039
ethyl 4-[[8-methoxy-3-[[(2R)-oxolan-2-yl]methylcarbamoyl]chromen-2-ylidene]amino]benzoate
CID 95185035
ethyl 4-[[8-methoxy-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]chromen-2-ylidene]amino]benzoate
CID 95185034
8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 95185070
6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184810
2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3171568
6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3171582
6-bromo-2-(3-fluoro-2-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366947

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The IUPAC name of 2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (CID 95185082) is 2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3cccc(Cl)c3C)oc12.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The InChIKey is QMKDZWOSYPKVAM-BTAOAOQOSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-14-18(24)8-4-9-19(14)26-23-17(22(27)25-13-16-7-5-11-29-16)12-15-6-3-10-20(28-2)21(15)30-23/h3-4,6,8-10,12,16H,5,7,11,13H2,1-2H3,(H,25,27)/b26-23-/t16-/m0/s1.
What are the key properties of 2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 95185082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).