1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea

C16H23FN2O — CID 110490855

IUPAC1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea
SMILESCCC(C)NC(=O)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C16H23FN2O/c1-3-12(2)18-15(20)19-16(10-4-5-11-16)13-6-8-14(17)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyGGIQSYQEXJKCGC-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.69
Rot. Bonds4

About 1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea

1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea (PubChem CID 110490855) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea
PubChem CID110490855
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea
SMILESCCC(C)NC(=O)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C16H23FN2O/c1-3-12(2)18-15(20)19-16(10-4-5-11-16)13-6-8-14(17)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyGGIQSYQEXJKCGC-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
N-[1-(4-fluorophenyl)cyclopentyl]-2-methyl-3-(methylamino)propanamide
CID 119752714
1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea
CID 110490871
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392
N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
CID 71684215
2-amino-N-[1-(4-fluorophenyl)cyclopentyl]acetamide;hydrochloride
CID 119305589
2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid
CID 110490888
1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea
CID 110469873
(2R)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]propanamide
CID 119318315
1-[1-(2-aminophenyl)cyclopropyl]-3-butan-2-ylurea
CID 110491079
2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid
CID 120821464

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea?
The IUPAC name of 1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea (CID 110490855) is 1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea is CCC(C)NC(=O)NC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea?
The InChIKey is GGIQSYQEXJKCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-12(2)18-15(20)19-16(10-4-5-11-16)13-6-8-14(17)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea?
1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea has a molecular weight of 278.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea is sourced from PubChem (CID 110490855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).