[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate

C19H16ClNO4 — CID 8741829

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccccc1Cl
InChIInChI=1S/C19H16ClNO4/c20-16-7-3-1-6-14(16)10-21-18(22)12-25-19(23)15-9-13-5-2-4-8-17(13)24-11-15/h1-9H,10-12H2,(H,21,22)
InChIKeyGSTFPVJPEWAQAW-UHFFFAOYSA-N
MW357.79 g/mol
LogP2.98
Rot. Bonds5

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 8741829) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID8741829
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccccc1Cl
InChIInChI=1S/C19H16ClNO4/c20-16-7-3-1-6-14(16)10-21-18(22)12-25-19(23)15-9-13-5-2-4-8-17(13)24-11-15/h1-9H,10-12H2,(H,21,22)
InChIKeyGSTFPVJPEWAQAW-UHFFFAOYSA-N
XLogP2.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
[2-(3,5-dichloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741886
[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2H-chromene-3-carboxylate
CID 8821553
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
CID 2624351
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8821560
[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779
[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742118
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8744397
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2428769
[2-(3,4-difluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741788
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742242

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate (CID 8741829) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate is O=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is GSTFPVJPEWAQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c20-16-7-3-1-6-14(16)10-21-18(22)12-25-19(23)15-9-13-5-2-4-8-17(13)24-11-15/h1-9H,10-12H2,(H,21,22).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 357.79 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8741829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).