6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide

C20H18Cl2N2O3 — CID 60532279

IUPAC6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1
InChIInChI=1S/C20H18Cl2N2O3/c1-11(2)23-19(25)12-3-5-16(22)17(9-12)24-20(26)14-7-13-8-15(21)4-6-18(13)27-10-14/h3-9,11H,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBSCGRIGYFCFUQN-UHFFFAOYSA-N
MW405.28 g/mol
LogP4.55
Rot. Bonds4

About 6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide

6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide (PubChem CID 60532279) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is 6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
PubChem CID60532279
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1
InChIInChI=1S/C20H18Cl2N2O3/c1-11(2)23-19(25)12-3-5-16(22)17(9-12)24-20(26)14-7-13-8-15(21)4-6-18(13)27-10-14/h3-9,11H,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBSCGRIGYFCFUQN-UHFFFAOYSA-N
XLogP4.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
CID 24517965
N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
CID 47014819
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate
CID 78884644
2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279132
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide (CID 60532279) is 6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide is CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1.
What is the InChIKey of 6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide?
The InChIKey is BSCGRIGYFCFUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c1-11(2)23-19(25)12-3-5-16(22)17(9-12)24-20(26)14-7-13-8-15(21)4-6-18(13)27-10-14/h3-9,11H,10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide?
6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide has a molecular weight of 405.28 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 60532279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).