N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide

C24H32F2N2O — CID 18418742

IUPACN-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C24H32F2N2O/c1-16(2)23(28-17(3)4)24(29)27-15-5-6-22(18-7-11-20(25)12-8-18)19-9-13-21(26)14-10-19/h7-14,16-17,22-23,28H,5-6,15H2,1-4H3,(H,27,29)
InChIKeyXDBCTEDJYDBEEA-UHFFFAOYSA-N
MW402.53 g/mol
LogP5.02
Rot. Bonds10

About N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide

N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide (PubChem CID 18418742) has the molecular formula C24H32F2N2O and a molecular weight of 402.53 g/mol. Its IUPAC name is N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide
PubChem CID18418742
Molecular FormulaC24H32F2N2O
Molecular Weight402.53 g/mol
Exact Mass402.25
IUPAC NameN-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C24H32F2N2O/c1-16(2)23(28-17(3)4)24(29)27-15-5-6-22(18-7-11-20(25)12-8-18)19-9-13-21(26)14-10-19/h7-14,16-17,22-23,28H,5-6,15H2,1-4H3,(H,27,29)
InChIKeyXDBCTEDJYDBEEA-UHFFFAOYSA-N
XLogP5.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 55.02
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

N-[4,4-bis(4-fluorophenyl)butyl]-2-(cyclohexylmethylamino)-3-methylbutanamide
CID 18418760
(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-2-[cyclohexyl(methyl)amino]-3-methylbutanamide
CID 59913952
(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-2-(dimethylamino)-4-methylpentanamide
CID 54556865
N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide
CID 18418681
(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-2-(dimethylamino)-4-methylpentanamide;hydrochloride
CID 86758548
[1-[4,4-bis(4-fluorophenyl)butylamino]-3-cyclohexyl-1-oxopropan-2-yl]carbamic acid
CID 18418754
tert-butyl N-[1-[4,4-bis(4-fluorophenyl)butylamino]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 23388433
N-butyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316809
N-[(2S)-1-[4,4-bis(4-fluorophenyl)butylamino]-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide
CID 54304940
1-[5,5-bis(4-fluorophenyl)pentyl]-3-(4-methylphenyl)urea
CID 159537469
N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-[methyl(oxan-4-yl)amino]pentanamide
CID 23388428
4-fluoro-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119431360

Frequently Asked Questions

What is the IUPAC name of N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide (CID 18418742) is N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide is CC(C)NC(C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)C.
What is the InChIKey of N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide?
The InChIKey is XDBCTEDJYDBEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N2O/c1-16(2)23(28-17(3)4)24(29)27-15-5-6-22(18-7-11-20(25)12-8-18)19-9-13-21(26)14-10-19/h7-14,16-17,22-23,28H,5-6,15H2,1-4H3,(H,27,29).
What are the key properties of N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide?
N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide has a molecular weight of 402.53 g/mol, XLogP of 5.02, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 18418742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).