N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide

C23H18N2O4 — CID 7412982

IUPACN-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NN=C1C[C@H](c2ccccc2)Oc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H18N2O4/c26-23(16-10-11-20-22(12-16)28-14-27-20)25-24-18-13-21(15-6-2-1-3-7-15)29-19-9-5-4-8-17(18)19/h1-12,21H,13-14H2,(H,25,26)/t21-/m1/s1
InChIKeyPVUKVLGCSUZPIB-OAQYLSRUSA-N
MW386.41 g/mol
LogP4.07
Rot. Bonds3

About N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide

N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide (PubChem CID 7412982) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide
PubChem CID7412982
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC NameN-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NN=C1C[C@H](c2ccccc2)Oc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H18N2O4/c26-23(16-10-11-20-22(12-16)28-14-27-20)25-24-18-13-21(15-6-2-1-3-7-15)29-19-9-5-4-8-17(18)19/h1-12,21H,13-14H2,(H,25,26)/t21-/m1/s1
InChIKeyPVUKVLGCSUZPIB-OAQYLSRUSA-N
XLogP4.07
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1,3-benzodioxole-5-carboxamide
CID 42912492
[(E)-(6-fluoro-2-phenyl-2,3-dihydrochromen-4-ylidene)amino]urea
CID 23660880
1-methyl-3-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]thiourea
CID 5387434
N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine
CID 71898402
(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazine
CID 5468257
N-(benzylideneamino)-1,3-benzodioxole-5-carboxamide
CID 834948
2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
CID 3586864
4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
CID 5270553
N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9410613
N-[(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-1,3-benzodioxole-5-carboxamide
CID 4845190
N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 7303308
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide
CID 5416358

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide (CID 7412982) is N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide is O=C(NN=C1C[C@H](c2ccccc2)Oc2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PVUKVLGCSUZPIB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-23(16-10-11-20-22(12-16)28-14-27-20)25-24-18-13-21(15-6-2-1-3-7-15)29-19-9-5-4-8-17(18)19/h1-12,21H,13-14H2,(H,25,26)/t21-/m1/s1.
What are the key properties of N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide?
N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7412982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).