(1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide

C19H15ClN2O2 — CID 124846706

IUPAC(1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
SMILESN#C[C@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccccc1Cl
InChIInChI=1S/C19H15ClN2O2/c20-16-8-4-3-7-15(16)17(11-21)22-19(24)14-9-10-18(23)13-6-2-1-5-12(13)14/h1-8,14,17H,9-10H2,(H,22,24)/t14-,17+/m1/s1
InChIKeyJDWAYDBPBYUCTK-PBHICJAKSA-N
MW338.79 g/mol
LogP3.78
Rot. Bonds3

About (1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide

(1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide (PubChem CID 124846706) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is (1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
PubChem CID124846706
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name(1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
SMILESN#C[C@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccccc1Cl
InChIInChI=1S/C19H15ClN2O2/c20-16-8-4-3-7-15(16)17(11-21)22-19(24)14-9-10-18(23)13-6-2-1-5-12(13)14/h1-8,14,17H,9-10H2,(H,22,24)/t14-,17+/m1/s1
InChIKeyJDWAYDBPBYUCTK-PBHICJAKSA-N
XLogP3.78
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide?
The IUPAC name of (1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide (CID 124846706) is (1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide?
The canonical SMILES for (1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide is N#C[C@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccccc1Cl.
What is the InChIKey of (1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide?
The InChIKey is JDWAYDBPBYUCTK-PBHICJAKSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-16-8-4-3-7-15(16)17(11-21)22-19(24)14-9-10-18(23)13-6-2-1-5-12(13)14/h1-8,14,17H,9-10H2,(H,22,24)/t14-,17+/m1/s1.
What are the key properties of (1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide?
(1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide has a molecular weight of 338.79 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide is sourced from PubChem (CID 124846706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).