3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea

C19H23F2N3O — CID 119065675

IUPAC3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
SMILESCCCCC(c1cccnc1)N(C)C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C19H23F2N3O/c1-3-4-7-18(14-6-5-10-22-12-14)24(2)19(25)23-13-15-11-16(20)8-9-17(15)21/h5-6,8-12,18H,3-4,7,13H2,1-2H3,(H,23,25)
InChIKeyHHSAJEFMSHMVMF-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.43
Rot. Bonds7

About 3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea

3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea (PubChem CID 119065675) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
PubChem CID119065675
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
SMILESCCCCC(c1cccnc1)N(C)C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C19H23F2N3O/c1-3-4-7-18(14-6-5-10-22-12-14)24(2)19(25)23-13-15-11-16(20)8-9-17(15)21/h5-6,8-12,18H,3-4,7,13H2,1-2H3,(H,23,25)
InChIKeyHHSAJEFMSHMVMF-UHFFFAOYSA-N
XLogP4.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 137027898
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea
CID 137027899
1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea
CID 119069380
7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide
CID 96580826
3-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-3-ylethyl)urea
CID 71972562
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 97436636
N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide
CID 125172275
4-(difluoromethoxy)-N-methyl-N-(1-pyridin-3-ylpentyl)benzamide
CID 131892363
6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide
CID 99935099
N,1,3-trimethyl-2,6-dioxo-N-[(1S)-1-pyridin-3-ylpentyl]pyrimidine-4-carboxamide
CID 95144359
6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide
CID 97113120
N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine
CID 63793740

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea (CID 119065675) is 3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea is CCCCC(c1cccnc1)N(C)C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea?
The InChIKey is HHSAJEFMSHMVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-3-4-7-18(14-6-5-10-22-12-14)24(2)19(25)23-13-15-11-16(20)8-9-17(15)21/h5-6,8-12,18H,3-4,7,13H2,1-2H3,(H,23,25).
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea?
3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea has a molecular weight of 347.41 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea is sourced from PubChem (CID 119065675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).