N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide

C20H16ClNO4 — CID 45490762

IUPACN-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(=O)c(OCc2ccccc2)co1
InChIInChI=1S/C20H16ClNO4/c21-16-8-4-7-15(9-16)11-22-20(24)18-10-17(23)19(13-26-18)25-12-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,22,24)
InChIKeyQXKNYDLPQVRZCB-UHFFFAOYSA-N
MW369.80 g/mol
LogP3.80
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide

N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide (PubChem CID 45490762) has the molecular formula C20H16ClNO4 and a molecular weight of 369.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
PubChem CID45490762
Molecular FormulaC20H16ClNO4
Molecular Weight369.80 g/mol
Exact Mass369.08
IUPAC NameN-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(=O)c(OCc2ccccc2)co1
InChIInChI=1S/C20H16ClNO4/c21-16-8-4-7-15(9-16)11-22-20(24)18-10-17(23)19(13-26-18)25-12-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,22,24)
InChIKeyQXKNYDLPQVRZCB-UHFFFAOYSA-N
XLogP3.80
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide
CID 42227339
5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide
CID 30860274
3-chloro-N-[(4-oxo-5-phenylmethoxypyran-2-yl)methyl]benzenesulfonamide
CID 86725722
N-(2-fluorophenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45494955
2-(aminomethyl)-5-[(3-chlorophenyl)methoxy]pyran-4-one
CID 82064016
N-(2-carbamoylphenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227017
3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide
CID 23019932
4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide
CID 42227009
N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227002
2-(azepane-1-carbonyl)-5-phenylmethoxypyran-4-one
CID 42226882
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide (CID 45490762) is N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide is O=C(NCc1cccc(Cl)c1)c1cc(=O)c(OCc2ccccc2)co1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The InChIKey is QXKNYDLPQVRZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO4/c21-16-8-4-7-15(9-16)11-22-20(24)18-10-17(23)19(13-26-18)25-12-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,22,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide has a molecular weight of 369.80 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide is sourced from PubChem (CID 45490762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).