3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide

C23H26FN5O3 — CID 154839202

IUPAC3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)N3CCC(NC(=O)Nc4ccc(F)cc4)C3)C2=O)cc1
InChIInChI=1S/C23H26FN5O3/c1-15-2-8-19(9-3-15)29-13-11-20(21(29)30)27-23(32)28-12-10-18(14-28)26-22(31)25-17-6-4-16(24)5-7-17/h2-9,18,20H,10-14H2,1H3,(H,27,32)(H2,25,26,31)
InChIKeyYCMQKLNZXSTYED-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.85
Rot. Bonds4

About 3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide

3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 154839202) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID154839202
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)N3CCC(NC(=O)Nc4ccc(F)cc4)C3)C2=O)cc1
InChIInChI=1S/C23H26FN5O3/c1-15-2-8-19(9-3-15)29-13-11-20(21(29)30)27-23(32)28-12-10-18(14-28)26-22(31)25-17-6-4-16(24)5-7-17/h2-9,18,20H,10-14H2,1H3,(H,27,32)(H2,25,26,31)
InChIKeyYCMQKLNZXSTYED-UHFFFAOYSA-N
XLogP2.85
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
1-(4-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513855
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160
1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838878
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639
1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014855
1-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 95051247
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea
CID 95288232
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95299167
1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea
CID 146130760
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide (CID 154839202) is 3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide is Cc1ccc(N2CCC(NC(=O)N3CCC(NC(=O)Nc4ccc(F)cc4)C3)C2=O)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is YCMQKLNZXSTYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-15-2-8-19(9-3-15)29-13-11-20(21(29)30)27-23(32)28-12-10-18(14-28)26-22(31)25-17-6-4-16(24)5-7-17/h2-9,18,20H,10-14H2,1H3,(H,27,32)(H2,25,26,31).
What are the key properties of 3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide?
3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 154839202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).