N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide

C17H16N2O2 — CID 69222537

IUPACN-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide
SMILESO=C(Nc1ccc(O)cc1)N1CCC=Cc2ccccc21
InChIInChI=1S/C17H16N2O2/c20-15-10-8-14(9-11-15)18-17(21)19-12-4-3-6-13-5-1-2-7-16(13)19/h1-3,5-11,20H,4,12H2,(H,18,21)
InChIKeyKCYGLKTXCPWOFN-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.85
Rot. Bonds1

About N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide

N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide (PubChem CID 69222537) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide
PubChem CID69222537
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide
SMILESO=C(Nc1ccc(O)cc1)N1CCC=Cc2ccccc21
InChIInChI=1S/C17H16N2O2/c20-15-10-8-14(9-11-15)18-17(21)19-12-4-3-6-13-5-1-2-7-16(13)19/h1-3,5-11,20H,4,12H2,(H,18,21)
InChIKeyKCYGLKTXCPWOFN-UHFFFAOYSA-N
XLogP3.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide (CID 69222537) is N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide is O=C(Nc1ccc(O)cc1)N1CCC=Cc2ccccc21.
What is the InChIKey of N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide?
The InChIKey is KCYGLKTXCPWOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-15-10-8-14(9-11-15)18-17(21)19-12-4-3-6-13-5-1-2-7-16(13)19/h1-3,5-11,20H,4,12H2,(H,18,21).
What are the key properties of N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide?
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2,3-dihydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 69222537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).