1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea

C23H24FN3O3 — CID 67575363

IUPAC1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea
SMILESCc1ccc(C(=O)c2cc(F)c(Cc3ccc(NC(=O)NCCO)cc3)n2C)cc1
InChIInChI=1S/C23H24FN3O3/c1-15-3-7-17(8-4-15)22(29)21-14-19(24)20(27(21)2)13-16-5-9-18(10-6-16)26-23(30)25-11-12-28/h3-10,14,28H,11-13H2,1-2H3,(H2,25,26,30)
InChIKeyAWEQJIDSZPNYIQ-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.41
Rot. Bonds7

About 1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea

1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea (PubChem CID 67575363) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea
PubChem CID67575363
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea
SMILESCc1ccc(C(=O)c2cc(F)c(Cc3ccc(NC(=O)NCCO)cc3)n2C)cc1
InChIInChI=1S/C23H24FN3O3/c1-15-3-7-17(8-4-15)22(29)21-14-19(24)20(27(21)2)13-16-5-9-18(10-6-16)26-23(30)25-11-12-28/h3-10,14,28H,11-13H2,1-2H3,(H2,25,26,30)
InChIKeyAWEQJIDSZPNYIQ-UHFFFAOYSA-N
XLogP3.41
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea with MolForge

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Related Compounds

1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015
1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 111111772
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874536
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(4-aminobutyl)-3-(4-methylphenyl)urea;hydrochloride
CID 163284843
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874435
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea (CID 67575363) is 1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea is Cc1ccc(C(=O)c2cc(F)c(Cc3ccc(NC(=O)NCCO)cc3)n2C)cc1.
What is the InChIKey of 1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea?
The InChIKey is AWEQJIDSZPNYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-15-3-7-17(8-4-15)22(29)21-14-19(24)20(27(21)2)13-16-5-9-18(10-6-16)26-23(30)25-11-12-28/h3-10,14,28H,11-13H2,1-2H3,(H2,25,26,30).
What are the key properties of 1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea?
1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea has a molecular weight of 409.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-fluoro-1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 67575363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).