N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide

C16H15ClFNO — CID 114295622

IUPACN-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(Cl)c2ccccc2)ccc1F
InChIInChI=1S/C16H15ClFNO/c1-11-9-13(7-8-15(11)18)16(20)19-10-14(17)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,19,20)
InChIKeyAFHPKNQXOAAVBT-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.84
Rot. Bonds4

About N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide

N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide (PubChem CID 114295622) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide
PubChem CID114295622
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(Cl)c2ccccc2)ccc1F
InChIInChI=1S/C16H15ClFNO/c1-11-9-13(7-8-15(11)18)16(20)19-10-14(17)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,19,20)
InChIKeyAFHPKNQXOAAVBT-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)-4-fluoro-3-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-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide
CID 59689109
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114296047
N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide
CID 106754192
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 111451028
N-(2-chloro-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 114295626
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 111447266
N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 114039911
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide (CID 114295622) is N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCC(Cl)c2ccccc2)ccc1F.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide?
The InChIKey is AFHPKNQXOAAVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11-9-13(7-8-15(11)18)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)-4-fluoro-3-methylbenzamide?
N-(2-chloro-2-phenylethyl)-4-fluoro-3-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)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 114295622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).