6-chloro-N-ethoxy-2H-chromene-3-carboxamide

C12H12ClNO3 — CID 60700765

IUPAC6-chloro-N-ethoxy-2H-chromene-3-carboxamide
SMILESCCONC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C12H12ClNO3/c1-2-17-14-12(15)9-5-8-6-10(13)3-4-11(8)16-7-9/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyOMRYOOPORCNBMB-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.18
Rot. Bonds3

About 6-chloro-N-ethoxy-2H-chromene-3-carboxamide

6-chloro-N-ethoxy-2H-chromene-3-carboxamide (PubChem CID 60700765) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is 6-chloro-N-ethoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethoxy-2H-chromene-3-carboxamide
PubChem CID60700765
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name6-chloro-N-ethoxy-2H-chromene-3-carboxamide
SMILESCCONC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C12H12ClNO3/c1-2-17-14-12(15)9-5-8-6-10(13)3-4-11(8)16-7-9/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyOMRYOOPORCNBMB-UHFFFAOYSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
CID 47014819
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
(2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid
CID 107563784
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
CID 115594500
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
CID 43408851
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
CID 103772938

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethoxy-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-ethoxy-2H-chromene-3-carboxamide (CID 60700765) is 6-chloro-N-ethoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-ethoxy-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-ethoxy-2H-chromene-3-carboxamide is CCONC(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-ethoxy-2H-chromene-3-carboxamide?
The InChIKey is OMRYOOPORCNBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-2-17-14-12(15)9-5-8-6-10(13)3-4-11(8)16-7-9/h3-6H,2,7H2,1H3,(H,14,15).
What are the key properties of 6-chloro-N-ethoxy-2H-chromene-3-carboxamide?
6-chloro-N-ethoxy-2H-chromene-3-carboxamide has a molecular weight of 253.68 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 60700765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).