N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide

C16H15NO2 — CID 44718206

IUPACN-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(Nc1ccccc1)C1OCCc2ccccc21
InChIInChI=1S/C16H15NO2/c18-16(17-13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-19-15/h1-9,15H,10-11H2,(H,17,18)
InChIKeyZCKOKEPZQZZHKJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.94
Rot. Bonds2

About N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide

N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 44718206) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID44718206
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(Nc1ccccc1)C1OCCc2ccccc21
InChIInChI=1S/C16H15NO2/c18-16(17-13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-19-15/h1-9,15H,10-11H2,(H,17,18)
InChIKeyZCKOKEPZQZZHKJ-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3,4-dihydro-1H-isochromene-1-carbonylamino)phenyl]propanoic acid
CID 119994982
N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 75431245
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 2990264
N-(2-aminophenyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 60983878
(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7343697
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 104624688
N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 115752894
N-[4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 45131247
N-(4-hydroxy-3-nitrophenyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 167941963
N-(2-chloro-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 103829352
(1R)-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 97336647
(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7378858

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide (CID 44718206) is N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide is O=C(Nc1ccccc1)C1OCCc2ccccc21.
What is the InChIKey of N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is ZCKOKEPZQZZHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(17-13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-19-15/h1-9,15H,10-11H2,(H,17,18).
What are the key properties of N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide?
N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 44718206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).