2-azido-N-(1-phenylethyl)benzamide

C15H14N4O — CID 169326494

IUPAC2-azido-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C15H14N4O/c1-11(12-7-3-2-4-8-12)17-15(20)13-9-5-6-10-14(13)18-19-16/h2-11H,1H3,(H,17,20)
InChIKeyWIEPLJACYQAZCC-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.12
Rot. Bonds4

About 2-azido-N-(1-phenylethyl)benzamide

2-azido-N-(1-phenylethyl)benzamide (PubChem CID 169326494) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-azido-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-azido-N-(1-phenylethyl)benzamide
PubChem CID169326494
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-azido-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C15H14N4O/c1-11(12-7-3-2-4-8-12)17-15(20)13-9-5-6-10-14(13)18-19-16/h2-11H,1H3,(H,17,20)
InChIKeyWIEPLJACYQAZCC-UHFFFAOYSA-N
XLogP4.12
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624
N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide
CID 10531743
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
3-amino-2-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 107863919

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-azido-N-(1-phenylethyl)benzamide (CID 169326494) is 2-azido-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-azido-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-azido-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1N=[N+]=[N-])c1ccccc1.
What is the InChIKey of 2-azido-N-(1-phenylethyl)benzamide?
The InChIKey is WIEPLJACYQAZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11(12-7-3-2-4-8-12)17-15(20)13-9-5-6-10-14(13)18-19-16/h2-11H,1H3,(H,17,20).
What are the key properties of 2-azido-N-(1-phenylethyl)benzamide?
2-azido-N-(1-phenylethyl)benzamide has a molecular weight of 266.30 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 169326494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).