(3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide

C19H18ClNO3 — CID 95273884

IUPAC(3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1
InChIInChI=1S/C19H18ClNO3/c1-19(11-14-7-3-4-9-16(14)17(22)24-19)18(23)21(2)12-13-6-5-8-15(20)10-13/h3-10H,11-12H2,1-2H3/t19-/m1/s1
InChIKeyPOYJOSOFGKRGJN-LJQANCHMSA-N
MW343.81 g/mol
LogP3.47
Rot. Bonds3

About (3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide

(3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 95273884) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is (3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide
PubChem CID95273884
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name(3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1
InChIInChI=1S/C19H18ClNO3/c1-19(11-14-7-3-4-9-16(14)17(22)24-19)18(23)21(2)12-13-6-5-8-15(20)10-13/h3-10H,11-12H2,1-2H3/t19-/m1/s1
InChIKeyPOYJOSOFGKRGJN-LJQANCHMSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-1-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-isochromene-3-carboxamide
CID 56777821
(3R)-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one
CID 25342854
N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide
CID 43024604
(3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide
CID 25351839
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918657
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
N-[(4-ethylphenyl)methyl]-3-methyl-1-oxo-N-(pyridin-3-ylmethyl)-4H-isochromene-3-carboxamide
CID 55360696
N-(2-adamantyl)-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide
CID 78858475
3-(6-chloro-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one
CID 55610166
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872
N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80502296
2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 62688638

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of (3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide (CID 95273884) is (3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1.
What is the InChIKey of (3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is POYJOSOFGKRGJN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-19(11-14-7-3-4-9-16(14)17(22)24-19)18(23)21(2)12-13-6-5-8-15(20)10-13/h3-10H,11-12H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide?
(3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 95273884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).