N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide

C18H20FNO — CID 110279716

IUPACN-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO/c1-12-8-13(2)10-16(9-12)18(21)20-11-14(3)15-4-6-17(19)7-5-15/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyIUTXTXBXVVDMQD-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.98
Rot. Bonds4

About N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide

N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide (PubChem CID 110279716) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide
PubChem CID110279716
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO/c1-12-8-13(2)10-16(9-12)18(21)20-11-14(3)15-4-6-17(19)7-5-15/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyIUTXTXBXVVDMQD-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]-2,5-dimethylbenzamide
CID 110279740
4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide
CID 100829555
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide
CID 86976055
3-ethyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279591
3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide
CID 110279600
N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 110279490
4-[(3,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 81065212
3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279589
1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide
CID 110279442

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide (CID 110279716) is N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(C)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide?
The InChIKey is IUTXTXBXVVDMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-8-13(2)10-16(9-12)18(21)20-11-14(3)15-4-6-17(19)7-5-15/h4-10,14H,11H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide?
N-[2-(4-fluorophenyl)propyl]-3,5-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]-3,5-dimethylbenzamide is sourced from PubChem (CID 110279716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).