1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea

C19H20FN3O2 — CID 95288232

IUPAC1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea
SMILESCc1ccccc1C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C19H20FN3O2/c1-13-4-2-3-5-17(13)18(24)23-11-10-16(12-23)22-19(25)21-15-8-6-14(20)7-9-15/h2-9,16H,10-12H2,1H3,(H2,21,22,25)/t16-/m1/s1
InChIKeyJQXQKQZMJUZBBL-MRXNPFEDSA-N
MW341.39 g/mol
LogP3.17
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea

1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea (PubChem CID 95288232) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea
PubChem CID95288232
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea
SMILESCc1ccccc1C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C19H20FN3O2/c1-13-4-2-3-5-17(13)18(24)23-11-10-16(12-23)22-19(25)21-15-8-6-14(20)7-9-15/h2-9,16H,10-12H2,1H3,(H2,21,22,25)/t16-/m1/s1
InChIKeyJQXQKQZMJUZBBL-MRXNPFEDSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119944747
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95299167
1-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 119310461
1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 155947310
1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea
CID 110820264
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 154839202
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 119310451

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea (CID 95288232) is 1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea is Cc1ccccc1C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea?
The InChIKey is JQXQKQZMJUZBBL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-4-2-3-5-17(13)18(24)23-11-10-16(12-23)22-19(25)21-15-8-6-14(20)7-9-15/h2-9,16H,10-12H2,1H3,(H2,21,22,25)/t16-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea?
1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea has a molecular weight of 341.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 95288232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).