1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea

C19H22F2N2O3 — CID 2554098

IUPAC1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1OCCC
InChIInChI=1S/C19H22F2N2O3/c1-3-9-25-17-8-6-14(12-18(17)26-10-4-2)22-19(24)23-16-7-5-13(20)11-15(16)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,22,23,24)
InChIKeyDJCBQQINKLWNJY-UHFFFAOYSA-N
MW364.39 g/mol
LogP5.19
Rot. Bonds8

About 1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea

1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea (PubChem CID 2554098) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea
PubChem CID2554098
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1OCCC
InChIInChI=1S/C19H22F2N2O3/c1-3-9-25-17-8-6-14(12-18(17)26-10-4-2)22-19(24)23-16-7-5-13(20)11-15(16)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,22,23,24)
InChIKeyDJCBQQINKLWNJY-UHFFFAOYSA-N
XLogP5.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.39
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
CID 122301865
2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide
CID 26878655
butyl 4-[(2,4-difluorophenyl)carbamoylamino]benzoate
CID 46859665
1-[4-(diethylamino)phenyl]-3-(2,4-difluorophenyl)urea
CID 970808
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide
CID 8639946
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-ethoxyphenyl]-3-(2,4-difluorophenyl)urea
CID 91217921
methyl 5-[(2,4-difluorophenyl)carbamoylamino]-3-ethoxy-1-benzothiophene-2-carboxylate
CID 53106828
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea (CID 2554098) is 1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea is CCCOc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1OCCC.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea?
The InChIKey is DJCBQQINKLWNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-3-9-25-17-8-6-14(12-18(17)26-10-4-2)22-19(24)23-16-7-5-13(20)11-15(16)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea?
1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea has a molecular weight of 364.39 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea is sourced from PubChem (CID 2554098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).