3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide

C23H20N2O2 — CID 19573949

IUPAC3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide
SMILES[H]/N=c1\oc2ccc3ccccc3c2cc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H20N2O2/c1-14(2)15-7-10-17(11-8-15)25-23(26)20-13-19-18-6-4-3-5-16(18)9-12-21(19)27-22(20)24/h3-14,24H,1-2H3,(H,25,26)/b24-22-
InChIKeyHXESYKBRQVDYCX-GYHWCHFESA-N
MW356.43 g/mol
LogP5.44
Rot. Bonds3

About 3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide

3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide (PubChem CID 19573949) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide.

Molecular Properties

Compound Name3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide
PubChem CID19573949
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide
SMILES[H]/N=c1\oc2ccc3ccccc3c2cc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H20N2O2/c1-14(2)15-7-10-17(11-8-15)25-23(26)20-13-19-18-6-4-3-5-16(18)9-12-21(19)27-22(20)24/h3-14,24H,1-2H3,(H,25,26)/b24-22-
InChIKeyHXESYKBRQVDYCX-GYHWCHFESA-N
XLogP5.44
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-3-iminobenzo[f]chromene-2-carboxamide
CID 17379748
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3316389
3-oxo-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzo[f]chromene-2-carboxamide
CID 43973484
ethyl 4-(4-bromophenyl)-2-[(3-iminobenzo[f]chromene-2-carbonyl)amino]thiophene-3-carboxylate
CID 19289158
3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide
CID 2266147
N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
CID 19574019
N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide
CID 135409466
2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide
CID 19288940
dimethyl 5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 6616120

Frequently Asked Questions

What is the IUPAC name of 3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide?
The IUPAC name of 3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide (CID 19573949) is 3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide.
What is the SMILES notation for 3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide?
The canonical SMILES for 3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide is [H]/N=c1\oc2ccc3ccccc3c2cc1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide?
The InChIKey is HXESYKBRQVDYCX-GYHWCHFESA-N. The full InChI is InChI=1S/C23H20N2O2/c1-14(2)15-7-10-17(11-8-15)25-23(26)20-13-19-18-6-4-3-5-16(18)9-12-21(19)27-22(20)24/h3-14,24H,1-2H3,(H,25,26)/b24-22-.
What are the key properties of 3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide?
3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 5.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide is sourced from PubChem (CID 19573949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).