1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

C19H20FN3O2 — CID 47032927

IUPAC1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCc1cc(CNC(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1F
InChIInChI=1S/C19H20FN3O2/c1-13-11-14(4-9-17(13)20)12-21-19(25)22-15-5-7-16(8-6-15)23-10-2-3-18(23)24/h4-9,11H,2-3,10,12H2,1H3,(H2,21,22,25)
InChIKeyDHOHEBORARYFQR-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.58
Rot. Bonds4

About 1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 47032927) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID47032927
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCc1cc(CNC(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1F
InChIInChI=1S/C19H20FN3O2/c1-13-11-14(4-9-17(13)20)12-21-19(25)22-15-5-7-16(8-6-15)23-10-2-3-18(23)24/h4-9,11H,2-3,10,12H2,1H3,(H2,21,22,25)
InChIKeyDHOHEBORARYFQR-UHFFFAOYSA-N
XLogP3.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38203655
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 37219418
N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987897
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55695718
2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 56921121
1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 122246040
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
4-chloro-2-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589680
1-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111413138
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55816777

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 47032927) is 1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is Cc1cc(CNC(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is DHOHEBORARYFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-11-14(4-9-17(13)20)12-21-19(25)22-15-5-7-16(8-6-15)23-10-2-3-18(23)24/h4-9,11H,2-3,10,12H2,1H3,(H2,21,22,25).
What are the key properties of 1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 341.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 47032927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).