1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea

C19H22F2N2O2 — CID 111453817

IUPAC1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCC(NC(=O)NC(CCCO)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N2O2/c1-13(15-9-10-16(20)17(21)12-15)22-19(25)23-18(8-5-11-24)14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13,18,24H,5,8,11H2,1H3,(H2,22,23,25)
InChIKeyPZRZKRRPUBLQKW-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.84
Rot. Bonds7

About 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea

1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 111453817) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID111453817
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCC(NC(=O)NC(CCCO)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N2O2/c1-13(15-9-10-16(20)17(21)12-15)22-19(25)23-18(8-5-11-24)14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13,18,24H,5,8,11H2,1H3,(H2,22,23,25)
InChIKeyPZRZKRRPUBLQKW-UHFFFAOYSA-N
XLogP3.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452677
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111503722
1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450259
(3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide
CID 26082762
N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
CID 43000604
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide
CID 31195240
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea (CID 111453817) is 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea is CC(NC(=O)NC(CCCO)c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is PZRZKRRPUBLQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-13(15-9-10-16(20)17(21)12-15)22-19(25)23-18(8-5-11-24)14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13,18,24H,5,8,11H2,1H3,(H2,22,23,25).
What are the key properties of 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea?
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 348.39 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 111453817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).