4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide

C16H15ClFNO — CID 81380667

IUPAC4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CCl)cc1)c1ccccc1F
InChIInChI=1S/C16H15ClFNO/c1-11(14-4-2-3-5-15(14)18)19-16(20)13-8-6-12(10-17)7-9-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyJKLVYSQELOLFOQ-LLVKDONJSA-N
MW291.75 g/mol
LogP4.06
Rot. Bonds4

About 4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide

4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide (PubChem CID 81380667) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
PubChem CID81380667
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CCl)cc1)c1ccccc1F
InChIInChI=1S/C16H15ClFNO/c1-11(14-4-2-3-5-15(14)18)19-16(20)13-8-6-12(10-17)7-9-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyJKLVYSQELOLFOQ-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-(2-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-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 81375390
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(chloromethyl)benzamide
CID 81383110
4-(chloromethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81389735
4-(chloromethyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 43697335
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81364892
4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 82812874
4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81375650
1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide
CID 74930486
N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide
CID 114344109
4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 61251276

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide (CID 81380667) is 4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(CCl)cc1)c1ccccc1F.
What is the InChIKey of 4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide?
The InChIKey is JKLVYSQELOLFOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11(14-4-2-3-5-15(14)18)19-16(20)13-8-6-12(10-17)7-9-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide?
4-(chloromethyl)-N-[(1R)-1-(2-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-(2-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 81380667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).