1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea

C18H22FN3O — CID 20951170

IUPAC1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
SMILESO=C(NCc1cccn1Cc1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C18H22FN3O/c19-15-6-3-5-14(11-15)13-22-10-4-9-17(22)12-20-18(23)21-16-7-1-2-8-16/h3-6,9-11,16H,1-2,7-8,12-13H2,(H2,20,21,23)
InChIKeyKVLQCBYSYWZTQY-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.42
Rot. Bonds5

About 1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea

1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea (PubChem CID 20951170) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
PubChem CID20951170
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
SMILESO=C(NCc1cccn1Cc1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C18H22FN3O/c19-15-6-3-5-14(11-15)13-22-10-4-9-17(22)12-20-18(23)21-16-7-1-2-8-16/h3-6,9-11,16H,1-2,7-8,12-13H2,(H2,20,21,23)
InChIKeyKVLQCBYSYWZTQY-UHFFFAOYSA-N
XLogP3.42
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
1-(2,5-dimethylphenyl)-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951130
1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 86992760
1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 20951156
1-(2,5-dimethoxyphenyl)-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951135
N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 4617614
N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,3-dimethylbutanamide
CID 3633409
3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea
CID 5214315
1-cyclohexyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)urea
CID 4034399
1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
CID 47216904
(2S)-N-cyclopentyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92719907
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9460662

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea (CID 20951170) is 1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea is O=C(NCc1cccn1Cc1cccc(F)c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea?
The InChIKey is KVLQCBYSYWZTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c19-15-6-3-5-14(11-15)13-22-10-4-9-17(22)12-20-18(23)21-16-7-1-2-8-16/h3-6,9-11,16H,1-2,7-8,12-13H2,(H2,20,21,23).
What are the key properties of 1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea?
1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea has a molecular weight of 315.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea is sourced from PubChem (CID 20951170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).