1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea

C19H20F4N2O — CID 95141541

IUPAC1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
SMILESC[C@H](Cc1c(F)cccc1F)NC(=O)N[C@H](C)Cc1c(F)cccc1F
InChIInChI=1S/C19H20F4N2O/c1-11(9-13-15(20)5-3-6-16(13)21)24-19(26)25-12(2)10-14-17(22)7-4-8-18(14)23/h3-8,11-12H,9-10H2,1-2H3,(H2,24,25,26)/t11-,12-/m1/s1
InChIKeyPURSKOMUVBDNNT-VXGBXAGGSA-N
MW368.37 g/mol
LogP4.10
Rot. Bonds6

About 1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea

1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea (PubChem CID 95141541) has the molecular formula C19H20F4N2O and a molecular weight of 368.37 g/mol. Its IUPAC name is 1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
PubChem CID95141541
Molecular FormulaC19H20F4N2O
Molecular Weight368.37 g/mol
Exact Mass368.15
IUPAC Name1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
SMILESC[C@H](Cc1c(F)cccc1F)NC(=O)N[C@H](C)Cc1c(F)cccc1F
InChIInChI=1S/C19H20F4N2O/c1-11(9-13-15(20)5-3-6-16(13)21)24-19(26)25-12(2)10-14-17(22)7-4-8-18(14)23/h3-8,11-12H,9-10H2,1-2H3,(H2,24,25,26)/t11-,12-/m1/s1
InChIKeyPURSKOMUVBDNNT-VXGBXAGGSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012346
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
CID 114328026
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide
CID 55819647
1-[1-(2,6-difluorophenyl)propan-2-yl]-3-(4,4,4-trifluoro-3-hydroxybutyl)urea
CID 56793700
N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide
CID 62837413
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693
1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea
CID 55922684
2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide
CID 81083554
1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81486715
2-(azetidin-3-yl)-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
CID 64618985

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea?
The IUPAC name of 1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea (CID 95141541) is 1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea.
What is the SMILES notation for 1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea?
The canonical SMILES for 1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea is C[C@H](Cc1c(F)cccc1F)NC(=O)N[C@H](C)Cc1c(F)cccc1F.
What is the InChIKey of 1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea?
The InChIKey is PURSKOMUVBDNNT-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H20F4N2O/c1-11(9-13-15(20)5-3-6-16(13)21)24-19(26)25-12(2)10-14-17(22)7-4-8-18(14)23/h3-8,11-12H,9-10H2,1-2H3,(H2,24,25,26)/t11-,12-/m1/s1.
What are the key properties of 1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea?
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea has a molecular weight of 368.37 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea is sourced from PubChem (CID 95141541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).