3-azido-N-[3-(trifluoromethyl)phenyl]benzamide

C14H9F3N4O — CID 142728931

IUPAC3-azido-N-[3-(trifluoromethyl)phenyl]benzamide
SMILES[N-]=[N+]=Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)10-4-2-5-11(8-10)19-13(22)9-3-1-6-12(7-9)20-21-18/h1-8H,(H,19,22)
InChIKeyRGHGQTDKALCUGJ-UHFFFAOYSA-N
MW306.25 g/mol
LogP4.90
Rot. Bonds3

About 3-azido-N-[3-(trifluoromethyl)phenyl]benzamide

3-azido-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 142728931) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 3-azido-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-azido-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID142728931
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name3-azido-N-[3-(trifluoromethyl)phenyl]benzamide
SMILES[N-]=[N+]=Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)10-4-2-5-11(8-10)19-13(22)9-3-1-6-12(7-9)20-21-18/h1-8H,(H,19,22)
InChIKeyRGHGQTDKALCUGJ-UHFFFAOYSA-N
XLogP4.90
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 54.90
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'}

Analyze 3-azido-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 23474550
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
CID 16788394

Frequently Asked Questions

What is the IUPAC name of 3-azido-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-azido-N-[3-(trifluoromethyl)phenyl]benzamide (CID 142728931) is 3-azido-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-azido-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-azido-N-[3-(trifluoromethyl)phenyl]benzamide is [N-]=[N+]=Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-azido-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RGHGQTDKALCUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)10-4-2-5-11(8-10)19-13(22)9-3-1-6-12(7-9)20-21-18/h1-8H,(H,19,22).
What are the key properties of 3-azido-N-[3-(trifluoromethyl)phenyl]benzamide?
3-azido-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 306.25 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 142728931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).