N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide

C18H20FNO — CID 110279740

IUPACN-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO/c1-12-4-5-13(2)17(10-12)18(21)20-11-14(3)15-6-8-16(19)9-7-15/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyCGOIYXGJOJFUPB-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.98
Rot. Bonds4

About N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide

N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide (PubChem CID 110279740) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
PubChem CID110279740
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO/c1-12-4-5-13(2)17(10-12)18(21)20-11-14(3)15-6-8-16(19)9-7-15/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyCGOIYXGJOJFUPB-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide
CID 110279716
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide
CID 75385860
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide
CID 97416787
5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide
CID 110279457
5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide
CID 114302810
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
2,5-dimethyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974414
2-hydroxy-4-methyl-N-(2-phenylpropyl)benzamide
CID 47098893
5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 82009424
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide (CID 110279740) is N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCC(C)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide?
The InChIKey is CGOIYXGJOJFUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-4-5-13(2)17(10-12)18(21)20-11-14(3)15-6-8-16(19)9-7-15/h4-10,14H,11H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide?
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide has a molecular weight of 285.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 110279740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).