1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea

C14H19F2N3O3 — CID 60543377

IUPAC1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1c(F)cc(NC(=O)NCCN2CCOCC2)cc1F
InChIInChI=1S/C14H19F2N3O3/c1-21-13-11(15)8-10(9-12(13)16)18-14(20)17-2-3-19-4-6-22-7-5-19/h8-9H,2-7H2,1H3,(H2,17,18,20)
InChIKeyANRSBWFXNHPMQO-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.43
Rot. Bonds5

About 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea

1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 60543377) has the molecular formula C14H19F2N3O3 and a molecular weight of 315.32 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID60543377
Molecular FormulaC14H19F2N3O3
Molecular Weight315.32 g/mol
Exact Mass315.14
IUPAC Name1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1c(F)cc(NC(=O)NCCN2CCOCC2)cc1F
InChIInChI=1S/C14H19F2N3O3/c1-21-13-11(15)8-10(9-12(13)16)18-14(20)17-2-3-19-4-6-22-7-5-19/h8-9H,2-7H2,1H3,(H2,17,18,20)
InChIKeyANRSBWFXNHPMQO-UHFFFAOYSA-N
XLogP1.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea
CID 119048905
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 22932427
1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217074
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869740
1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 118789628
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 108873272
1-[6-(3-methoxyphenoxy)-3-pyridinyl]-3-(2-morpholin-4-ylethyl)urea
CID 72887930
1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea
CID 158422773
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea (CID 60543377) is 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea is COc1c(F)cc(NC(=O)NCCN2CCOCC2)cc1F.
What is the InChIKey of 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is ANRSBWFXNHPMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O3/c1-21-13-11(15)8-10(9-12(13)16)18-14(20)17-2-3-19-4-6-22-7-5-19/h8-9H,2-7H2,1H3,(H2,17,18,20).
What are the key properties of 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea?
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 315.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 60543377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).