5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide

C15H11Cl2FN4O — CID 146370789

IUPAC5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide
SMILES[N-]=[N+]=NCc1ccc(F)c(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H11Cl2FN4O/c16-12-3-1-10(6-13(12)17)7-20-15(23)11-5-9(8-21-22-19)2-4-14(11)18/h1-6H,7-8H2,(H,20,23)
InChIKeyZMDCVAQTGCMJLZ-UHFFFAOYSA-N
MW353.18 g/mol
LogP4.87
Rot. Bonds5

About 5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide

5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide (PubChem CID 146370789) has the molecular formula C15H11Cl2FN4O and a molecular weight of 353.18 g/mol. Its IUPAC name is 5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide
PubChem CID146370789
Molecular FormulaC15H11Cl2FN4O
Molecular Weight353.18 g/mol
Exact Mass352.03
IUPAC Name5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide
SMILES[N-]=[N+]=NCc1ccc(F)c(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H11Cl2FN4O/c16-12-3-1-10(6-13(12)17)7-20-15(23)11-5-9(8-21-22-19)2-4-14(11)18/h1-6H,7-8H2,(H,20,23)
InChIKeyZMDCVAQTGCMJLZ-UHFFFAOYSA-N
XLogP4.87
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 54.87
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

N-(2-azidoethyl)-5-chloro-2-fluorobenzamide
CID 61343785
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
5-(azidomethyl)-N-[(4-chlorophenyl)methyl]thiophene-2-carboxamide
CID 134163020
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
N-(4-azidobutyl)-4-chloro-2,5-difluorobenzamide
CID 106386799

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide?
The IUPAC name of 5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide (CID 146370789) is 5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide is [N-]=[N+]=NCc1ccc(F)c(C(=O)NCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide?
The InChIKey is ZMDCVAQTGCMJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN4O/c16-12-3-1-10(6-13(12)17)7-20-15(23)11-5-9(8-21-22-19)2-4-14(11)18/h1-6H,7-8H2,(H,20,23).
What are the key properties of 5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide?
5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide has a molecular weight of 353.18 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 146370789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).