N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide

C17H18FNO — CID 841056

IUPACN-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO/c1-11-7-8-12(2)16(9-11)13(3)19-17(20)14-5-4-6-15(18)10-14/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyIXTKCRKXERJURN-CYBMUJFWSA-N
MW271.33 g/mol
LogP3.93
Rot. Bonds3

About N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide

N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide (PubChem CID 841056) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
PubChem CID841056
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC NameN-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO/c1-11-7-8-12(2)16(9-11)13(3)19-17(20)14-5-4-6-15(18)10-14/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyIXTKCRKXERJURN-CYBMUJFWSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide 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

3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327144
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-iodobenzamide
CID 95356346
N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide
CID 16560846
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26371719
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 63110602
2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 17167985
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 26171953
N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43095447
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 1225343

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide (CID 841056) is N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide is Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide?
The InChIKey is IXTKCRKXERJURN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-7-8-12(2)16(9-11)13(3)19-17(20)14-5-4-6-15(18)10-14/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide?
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide has a molecular weight of 271.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 841056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).