N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide

C23H19NO3 — CID 51174866

IUPACN-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1OC(C(=O)NC(c2ccccc2)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C23H19NO3/c25-22(20-15-18-13-7-8-14-19(18)23(26)27-20)24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21H,15H2,(H,24,25)
InChIKeyUNJATUZGDYRHCH-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.67
Rot. Bonds4

About N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 51174866) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID51174866
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC NameN-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1OC(C(=O)NC(c2ccccc2)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C23H19NO3/c25-22(20-15-18-13-7-8-14-19(18)23(26)27-20)24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21H,15H2,(H,24,25)
InChIKeyUNJATUZGDYRHCH-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-oxo-N-phenyl-3,4-dihydroisochromene-3-carboxamide
CID 2146542
N-[1-(3-bromophenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43059240
(3S)-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 30823270
1-oxo-N-(1-thiophen-2-ylethyl)-3,4-dihydroisochromene-3-carboxamide
CID 5262609
2-[[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]benzoic acid
CID 2146567
(3S)-1-oxo-N-phenylmethoxy-3,4-dihydroisochromene-3-carboxamide
CID 95276381
N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide
CID 51188217
N-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 3921971
N-(4-bromophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 5111632
N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4901890
1-oxo-N-(4-phenoxyphenyl)-3,4-dihydroisochromene-3-carboxamide
CID 43024623
(3S)-N-(2,5-dichlorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 941228

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 51174866) is N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide is O=C1OC(C(=O)NC(c2ccccc2)c2ccccc2)Cc2ccccc21.
What is the InChIKey of N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is UNJATUZGDYRHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-22(20-15-18-13-7-8-14-19(18)23(26)27-20)24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21H,15H2,(H,24,25).
What are the key properties of N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 51174866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).