1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea

C17H25FN2O — CID 112840360

IUPAC1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
SMILESCC(C)(C)NC(=O)NC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C17H25FN2O/c1-17(2,3)20-16(21)19-15(12-6-4-5-7-12)13-8-10-14(18)11-9-13/h8-12,15H,4-7H2,1-3H3,(H2,19,20,21)
InChIKeyBGOSFIYMZLBHDS-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.15
Rot. Bonds3

About 1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea

1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea (PubChem CID 112840360) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
PubChem CID112840360
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
SMILESCC(C)(C)NC(=O)NC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C17H25FN2O/c1-17(2,3)20-16(21)19-15(12-6-4-5-7-12)13-8-10-14(18)11-9-13/h8-12,15H,4-7H2,1-3H3,(H2,19,20,21)
InChIKeyBGOSFIYMZLBHDS-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 115356216
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338532
1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 41200264
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337411
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438682
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
CID 86900807
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119735348
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322
1-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 95977808
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111109592
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]furan-2-carboxamide
CID 51951454

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea (CID 112840360) is 1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea is CC(C)(C)NC(=O)NC(c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea?
The InChIKey is BGOSFIYMZLBHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-17(2,3)20-16(21)19-15(12-6-4-5-7-12)13-8-10-14(18)11-9-13/h8-12,15H,4-7H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea?
1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea has a molecular weight of 292.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 112840360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).