N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide

C19H22F2N2O — CID 18418681

IUPACN-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H22F2N2O/c1-22-13-19(24)23-12-2-3-18(14-4-8-16(20)9-5-14)15-6-10-17(21)11-7-15/h4-11,18,22H,2-3,12-13H2,1H3,(H,23,24)
InChIKeyDQHBHQTYHPVFFE-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.21
Rot. Bonds8

About N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide

N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide (PubChem CID 18418681) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide
PubChem CID18418681
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC NameN-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H22F2N2O/c1-22-13-19(24)23-12-2-3-18(14-4-8-16(20)9-5-14)15-6-10-17(21)11-7-15/h4-11,18,22H,2-3,12-13H2,1H3,(H,23,24)
InChIKeyDQHBHQTYHPVFFE-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.21
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-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
N-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-2-(propan-2-ylamino)butanamide
CID 18418742
(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-2-(dimethylamino)-4-methylpentanamide
CID 54556865
(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-2-(dimethylamino)-4-methylpentanamide;hydrochloride
CID 86758548
N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide
CID 178070450
2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
CID 177413313
1-[5,5-bis(4-fluorophenyl)pentyl]-3-(4-methylphenyl)urea
CID 159537469
2-chloro-N-(4,4-diphenylbutyl)acetamide
CID 69448505
tert-butyl N-[1-[4,4-bis(4-fluorophenyl)butylamino]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 23388433
[1-[4,4-bis(4-fluorophenyl)butylamino]-3-cyclohexyl-1-oxopropan-2-yl]carbamic acid
CID 18418754
(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-2-[cyclohexyl(methyl)amino]-3-methylbutanamide
CID 59913952
N-[4,4-bis(4-fluorophenyl)butyl]-2-(cyclohexylmethylamino)-3-methylbutanamide
CID 18418760

Frequently Asked Questions

What is the IUPAC name of N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide?
The IUPAC name of N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide (CID 18418681) is N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide is CNCC(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide?
The InChIKey is DQHBHQTYHPVFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-22-13-19(24)23-12-2-3-18(14-4-8-16(20)9-5-14)15-6-10-17(21)11-7-15/h4-11,18,22H,2-3,12-13H2,1H3,(H,23,24).
What are the key properties of N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide?
N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide has a molecular weight of 332.39 g/mol, XLogP of 3.21, 8 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]-2-(methylamino)acetamide is sourced from PubChem (CID 18418681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).