4-(azidomethyl)-3-(4-fluorophenyl)benzamide

C14H11FN4O — CID 122623216

IUPAC4-(azidomethyl)-3-(4-fluorophenyl)benzamide
SMILES[N-]=[N+]=NCc1ccc(C(N)=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H11FN4O/c15-12-5-3-9(4-6-12)13-7-10(14(16)20)1-2-11(13)8-18-19-17/h1-7H,8H2,(H2,16,20)
InChIKeyANBCPNZCYCKBEL-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.40
Rot. Bonds4

About 4-(azidomethyl)-3-(4-fluorophenyl)benzamide

4-(azidomethyl)-3-(4-fluorophenyl)benzamide (PubChem CID 122623216) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 4-(azidomethyl)-3-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(azidomethyl)-3-(4-fluorophenyl)benzamide
PubChem CID122623216
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name4-(azidomethyl)-3-(4-fluorophenyl)benzamide
SMILES[N-]=[N+]=NCc1ccc(C(N)=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H11FN4O/c15-12-5-3-9(4-6-12)13-7-10(14(16)20)1-2-11(13)8-18-19-17/h1-7H,8H2,(H2,16,20)
InChIKeyANBCPNZCYCKBEL-UHFFFAOYSA-N
XLogP3.40
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.40
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

4-fluoro-3-(4-fluorophenyl)benzamide
CID 46312266
3-[4-carbamoyl-2-(4-fluorophenyl)phenyl]propyl 4-methylbenzenesulfonate
CID 122634590
3-(azidomethyl)benzamide
CID 61374948
3-(azidomethyl)-4-[2-(azidomethyl)-4-carboxyphenyl]benzoic acid
CID 102053260
2-azidoethyl 4-[2,4,5-tris[4-(2-azidoethoxycarbonyl)phenyl]phenyl]benzoate
CID 102366898
2-(azidomethyl)-5-fluoro-N-methylbenzamide
CID 91620336
4-(2-azidoethyl)benzamide
CID 22390689
chloromethane;4-fluorobenzamide
CID 158476805
4-azido-3-fluorobenzamide
CID 80583653
3-fluoro-4-(2-hydroxyethyl)benzamide
CID 175907153
1-(azidomethyl)-2,4-difluorobenzene;1-(chloromethyl)-2,4-difluorobenzene
CID 158479516
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-3-(4-fluorophenyl)benzamide?
The IUPAC name of 4-(azidomethyl)-3-(4-fluorophenyl)benzamide (CID 122623216) is 4-(azidomethyl)-3-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-(azidomethyl)-3-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-(azidomethyl)-3-(4-fluorophenyl)benzamide is [N-]=[N+]=NCc1ccc(C(N)=O)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(azidomethyl)-3-(4-fluorophenyl)benzamide?
The InChIKey is ANBCPNZCYCKBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-12-5-3-9(4-6-12)13-7-10(14(16)20)1-2-11(13)8-18-19-17/h1-7H,8H2,(H2,16,20).
What are the key properties of 4-(azidomethyl)-3-(4-fluorophenyl)benzamide?
4-(azidomethyl)-3-(4-fluorophenyl)benzamide has a molecular weight of 270.27 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-3-(4-fluorophenyl)benzamide is sourced from PubChem (CID 122623216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).