2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide

C20H24F2N2O — CID 167564412

IUPAC2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide
SMILESCc1ccc(CC(C)NCCCc2ccc(C(N)=O)c(F)c2)cc1F
InChIInChI=1S/C20H24F2N2O/c1-13-5-6-16(12-18(13)21)10-14(2)24-9-3-4-15-7-8-17(20(23)25)19(22)11-15/h5-8,11-12,14,24H,3-4,9-10H2,1-2H3,(H2,23,25)
InChIKeyJHFVYUXPSRJUBJ-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.53
Rot. Bonds8

About 2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide

2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide (PubChem CID 167564412) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide
PubChem CID167564412
Molecular FormulaC20H24F2N2O
Molecular Weight346.42 g/mol
Exact Mass346.19
IUPAC Name2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide
SMILESCc1ccc(CC(C)NCCCc2ccc(C(N)=O)c(F)c2)cc1F
InChIInChI=1S/C20H24F2N2O/c1-13-5-6-16(12-18(13)21)10-14(2)24-9-3-4-15-7-8-17(20(23)25)19(22)11-15/h5-8,11-12,14,24H,3-4,9-10H2,1-2H3,(H2,23,25)
InChIKeyJHFVYUXPSRJUBJ-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-propylbenzamide
CID 175786906
N-[3-(4-tert-butylphenyl)propyl]-1-(3,4-difluorophenyl)propan-2-amine
CID 165377963
methyl 2-[(3-fluoro-4-methylphenyl)methylamino]propanoate
CID 63646729
ethyl 3-(3-fluoro-4-methylphenyl)-2-methylpropanoate
CID 70640795
4-[(3S)-4-amino-3-(dimethylamino)-2-methylbutyl]-2-fluorobenzamide
CID 165405492
5-(3-fluoro-4-methylphenyl)pentanoic acid
CID 169495010
1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine
CID 167557553
methyl 2-chloro-3-(3-fluoro-4-methylphenyl)propanoate
CID 83194568
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine
CID 165377968
2-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzoic acid
CID 106700029
2-bromo-1-(3-fluoro-4-methylphenyl)-4-methylpentan-3-one
CID 62394983

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide?
The IUPAC name of 2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide (CID 167564412) is 2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide.
What is the SMILES notation for 2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide?
The canonical SMILES for 2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide is Cc1ccc(CC(C)NCCCc2ccc(C(N)=O)c(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide?
The InChIKey is JHFVYUXPSRJUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O/c1-13-5-6-16(12-18(13)21)10-14(2)24-9-3-4-15-7-8-17(20(23)25)19(22)11-15/h5-8,11-12,14,24H,3-4,9-10H2,1-2H3,(H2,23,25).
What are the key properties of 2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide?
2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide has a molecular weight of 346.42 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide is sourced from PubChem (CID 167564412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).