N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide

C16H15ClFNO — CID 114296047

IUPACN-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(Cl)c2ccccc2)c(F)c1
InChIInChI=1S/C16H15ClFNO/c1-11-7-8-13(15(18)9-11)16(20)19-10-14(17)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,19,20)
InChIKeyPLALULCLPQKDNN-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.84
Rot. Bonds4

About N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide

N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide (PubChem CID 114296047) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide
PubChem CID114296047
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(Cl)c2ccccc2)c(F)c1
InChIInChI=1S/C16H15ClFNO/c1-11-7-8-13(15(18)9-11)16(20)19-10-14(17)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,19,20)
InChIKeyPLALULCLPQKDNN-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide 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-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
CID 102885176
N-(3-chloro-2-methylpropyl)-2-fluoro-4-methylbenzamide
CID 114302822
N-(2-chloro-1-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114300235
N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide
CID 114295622
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
CID 111791703
N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 56758673
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
N-(2-chloro-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 114295626
N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 113271444
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 114295738
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide (CID 114296047) is N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCC(Cl)c2ccccc2)c(F)c1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide?
The InChIKey is PLALULCLPQKDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11-7-8-13(15(18)9-11)16(20)19-10-14(17)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide?
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide has a molecular weight of 291.75 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 114296047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).