N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide

C25H26N2O2 — CID 7582084

IUPACN-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
SMILESO=C(Nc1ccc(N2CCCCCC2)cc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c28-25(20-9-8-12-24(19-20)29-23-10-4-3-5-11-23)26-21-13-15-22(16-14-21)27-17-6-1-2-7-18-27/h3-5,8-16,19H,1-2,6-7,17-18H2,(H,26,28)
InChIKeyVSTDLZWKMMMEEF-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.11
Rot. Bonds5

About N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide

N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide (PubChem CID 7582084) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
PubChem CID7582084
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
SMILESO=C(Nc1ccc(N2CCCCCC2)cc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c28-25(20-9-8-12-24(19-20)29-23-10-4-3-5-11-23)26-21-13-15-22(16-14-21)27-17-6-1-2-7-18-27/h3-5,8-16,19H,1-2,6-7,17-18H2,(H,26,28)
InChIKeyVSTDLZWKMMMEEF-UHFFFAOYSA-N
XLogP6.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2275832
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7491837
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052099
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide (CID 7582084) is N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide is O=C(Nc1ccc(N2CCCCCC2)cc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide?
The InChIKey is VSTDLZWKMMMEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-25(20-9-8-12-24(19-20)29-23-10-4-3-5-11-23)26-21-13-15-22(16-14-21)27-17-6-1-2-7-18-27/h3-5,8-16,19H,1-2,6-7,17-18H2,(H,26,28).
What are the key properties of N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide?
N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide has a molecular weight of 386.50 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide is sourced from PubChem (CID 7582084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).