6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide

C22H20Cl2N2O3 — CID 95184968

IUPAC6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCc1cc(Cl)ccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C22H20Cl2N2O3/c1-13-9-15(23)4-6-19(13)26-22-18(21(27)25-12-17-3-2-8-28-17)11-14-10-16(24)5-7-20(14)29-22/h4-7,9-11,17H,2-3,8,12H2,1H3,(H,25,27)/b26-22-/t17-/m0/s1
InChIKeyDYDQUPRWFMOYAA-IFMSOTMUSA-N
MW431.32 g/mol
LogP5.19
Rot. Bonds4

About 6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide

6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (PubChem CID 95184968) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is 6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
PubChem CID95184968
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCc1cc(Cl)ccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C22H20Cl2N2O3/c1-13-9-15(23)4-6-19(13)26-22-18(21(27)25-12-17-3-2-8-28-17)11-14-10-16(24)5-7-20(14)29-22/h4-7,9-11,17H,2-3,8,12H2,1H3,(H,25,27)/b26-22-/t17-/m0/s1
InChIKeyDYDQUPRWFMOYAA-IFMSOTMUSA-N
XLogP5.19
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-(4-chloro-2-methylphenyl)imino-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

6-chloro-2-(2,4-dimethylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184888
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-(2,5-dimethylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184890
6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366998
6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3171582
6-bromo-2-(5-chloro-2-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184843
6-chloro-2-(4-fluoro-3-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184972
6-chloro-2-(4-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184892
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
CID 95184885
methyl 4-[[6-chloro-3-[[(2R)-oxolan-2-yl]methylcarbamoyl]chromen-2-ylidene]amino]benzoate
CID 95184915
6-chloro-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 862279

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The IUPAC name of 6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (CID 95184968) is 6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is Cc1cc(Cl)ccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The InChIKey is DYDQUPRWFMOYAA-IFMSOTMUSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-13-9-15(23)4-6-19(13)26-22-18(21(27)25-12-17-3-2-8-28-17)11-14-10-16(24)5-7-20(14)29-22/h4-7,9-11,17H,2-3,8,12H2,1H3,(H,25,27)/b26-22-/t17-/m0/s1.
What are the key properties of 6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 431.32 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 95184968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).