1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea

C13H19F2N3O — CID 43288499

IUPAC1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea
SMILESCCCN(CCCN)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H19F2N3O/c1-2-7-18(8-3-6-16)13(19)17-12-5-4-10(14)9-11(12)15/h4-5,9H,2-3,6-8,16H2,1H3,(H,17,19)
InChIKeyFMFANKZAPVNJKG-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.56
Rot. Bonds6

About 1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea

1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea (PubChem CID 43288499) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea
PubChem CID43288499
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea
SMILESCCCN(CCCN)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H19F2N3O/c1-2-7-18(8-3-6-16)13(19)17-12-5-4-10(14)9-11(12)15/h4-5,9H,2-3,6-8,16H2,1H3,(H,17,19)
InChIKeyFMFANKZAPVNJKG-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120402
2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3682537
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 113281479
1-[2-(4-tert-butylsulfanylphenyl)ethyl]-3-(2,4-difluorophenyl)-1-heptylurea
CID 118688830
1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980321
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
1-(3-amino-2-methylpropyl)-3-(2,4-difluorophenyl)-1-methylurea
CID 54992200
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113123156
2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptylamino]ethyl]phenyl]sulfanylpropanoic acid
CID 142216124
4-fluoro-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 61425387
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea?
The IUPAC name of 1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea (CID 43288499) is 1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea.
What is the SMILES notation for 1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea?
The canonical SMILES for 1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea is CCCN(CCCN)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea?
The InChIKey is FMFANKZAPVNJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-2-7-18(8-3-6-16)13(19)17-12-5-4-10(14)9-11(12)15/h4-5,9H,2-3,6-8,16H2,1H3,(H,17,19).
What are the key properties of 1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea?
1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea has a molecular weight of 271.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea is sourced from PubChem (CID 43288499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).