4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide

C16H15ClFNO — CID 81364892

IUPAC4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CCl)cc1)c1cccc(F)c1
InChIInChI=1S/C16H15ClFNO/c1-11(14-3-2-4-15(18)9-14)19-16(20)13-7-5-12(10-17)6-8-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyPWSPGQXGEQOBMU-LLVKDONJSA-N
MW291.75 g/mol
LogP4.06
Rot. Bonds4

About 4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide

4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide (PubChem CID 81364892) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
PubChem CID81364892
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CCl)cc1)c1cccc(F)c1
InChIInChI=1S/C16H15ClFNO/c1-11(14-3-2-4-15(18)9-14)19-16(20)13-7-5-12(10-17)6-8-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyPWSPGQXGEQOBMU-LLVKDONJSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]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

4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
4-(chloromethyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 43697335
N-[1-(3-fluorophenyl)ethyl]-4-iodobenzamide
CID 47098593
N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
CID 107025556
4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 51955516
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 92814322
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]benzamide
CID 41138201
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
CID 28620365
4-amino-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 62592272
4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 81380667

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide (CID 81364892) is 4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(CCl)cc1)c1cccc(F)c1.
What is the InChIKey of 4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is PWSPGQXGEQOBMU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11(14-3-2-4-15(18)9-14)19-16(20)13-7-5-12(10-17)6-8-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide?
4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 291.75 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 81364892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).