N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide

C23H29F2N3O — CID 66709730

IUPACN,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide
SMILESCCC(N)(c1ccccc1F)N(C(=O)C1CCC1)C(N)(CC)c1ccccc1F
InChIInChI=1S/C23H29F2N3O/c1-3-22(26,17-12-5-7-14-19(17)24)28(21(29)16-10-9-11-16)23(27,4-2)18-13-6-8-15-20(18)25/h5-8,12-16H,3-4,9-11,26-27H2,1-2H3
InChIKeyDGPOGSDSELLBMV-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.34
Rot. Bonds7

About N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide

N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide (PubChem CID 66709730) has the molecular formula C23H29F2N3O and a molecular weight of 401.50 g/mol. Its IUPAC name is N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide
PubChem CID66709730
Molecular FormulaC23H29F2N3O
Molecular Weight401.50 g/mol
Exact Mass401.23
IUPAC NameN,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide
SMILESCCC(N)(c1ccccc1F)N(C(=O)C1CCC1)C(N)(CC)c1ccccc1F
InChIInChI=1S/C23H29F2N3O/c1-3-22(26,17-12-5-7-14-19(17)24)28(21(29)16-10-9-11-16)23(27,4-2)18-13-6-8-15-20(18)25/h5-8,12-16H,3-4,9-11,26-27H2,1-2H3
InChIKeyDGPOGSDSELLBMV-UHFFFAOYSA-N
XLogP4.34
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-1-(2-fluorophenyl)propan-1-ol
CID 64918927
1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol
CID 112679495
2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide
CID 112677148
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
trans-(1S,3S)-3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124557491
[(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate
CID 174740968
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
(3S)-3-amino-3-(2-fluorophenyl)butan-2-one
CID 122592093
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine
CID 43830525
N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide
CID 10756566

Frequently Asked Questions

What is the IUPAC name of N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide?
The IUPAC name of N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide (CID 66709730) is N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide.
What is the SMILES notation for N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide?
The canonical SMILES for N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide is CCC(N)(c1ccccc1F)N(C(=O)C1CCC1)C(N)(CC)c1ccccc1F.
What is the InChIKey of N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide?
The InChIKey is DGPOGSDSELLBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O/c1-3-22(26,17-12-5-7-14-19(17)24)28(21(29)16-10-9-11-16)23(27,4-2)18-13-6-8-15-20(18)25/h5-8,12-16H,3-4,9-11,26-27H2,1-2H3.
What are the key properties of N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide?
N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide has a molecular weight of 401.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide is sourced from PubChem (CID 66709730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).