molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide

C9H8F3N3O — CID 175275825

IUPACmolecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1.N#N
InChIInChI=1S/C9H8F3NO.N2/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12;1-2/h2-5H,1H3,(H,13,14);
InChIKeyPAQQZCAFVPDHTR-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.69
Rot. Bonds1

About molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide

molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 175275825) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Namemolecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID175275825
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Namemolecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1.N#N
InChIInChI=1S/C9H8F3NO.N2/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12;1-2/h2-5H,1H3,(H,13,14);
InChIKeyPAQQZCAFVPDHTR-UHFFFAOYSA-N
XLogP2.69
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

Analyze molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide 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-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea
CID 108910439
(Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 54710314
potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838301
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 54684141
(2R)-2-cyano-3-oxo-N-[4-(trifluoromethyl)phenyl]butanamide
CID 155903757

Frequently Asked Questions

What is the IUPAC name of molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide (CID 175275825) is molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)cc1.N#N.
What is the InChIKey of molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PAQQZCAFVPDHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO.N2/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12;1-2/h2-5H,1H3,(H,13,14);.
What are the key properties of molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide?
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 231.18 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 175275825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).