1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea

C10H15ClN2O2 — CID 110748926

IUPAC1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea
SMILESCC(C)(C)NC(=O)NCc1ccc(Cl)o1
InChIInChI=1S/C10H15ClN2O2/c1-10(2,3)13-9(14)12-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3,(H2,12,13,14)
InChIKeyMJZMMFHVZMRODE-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.53
Rot. Bonds2

About 1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea

1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea (PubChem CID 110748926) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea
PubChem CID110748926
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea
SMILESCC(C)(C)NC(=O)NCc1ccc(Cl)o1
InChIInChI=1S/C10H15ClN2O2/c1-10(2,3)13-9(14)12-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3,(H2,12,13,14)
InChIKeyMJZMMFHVZMRODE-UHFFFAOYSA-N
XLogP2.53
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110748928
2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide
CID 131182868
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea
CID 146078308
1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415604
tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate
CID 103818486
1-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108896929
2-[(5-chlorofuran-2-yl)methylamino]acetic acid
CID 60769646
N-[(5-chlorofuran-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110732020
1-tert-butyl-3-[(4-fluorophenyl)methyl]urea
CID 59397344
1-(5-chlorofuran-2-yl)propan-2-one
CID 82652120
1-tert-butyl-3-[(2,2-dimethylcyclopropyl)methyl]urea
CID 103753121
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
CID 115595769

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea?
The IUPAC name of 1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea (CID 110748926) is 1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea is CC(C)(C)NC(=O)NCc1ccc(Cl)o1.
What is the InChIKey of 1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea?
The InChIKey is MJZMMFHVZMRODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-10(2,3)13-9(14)12-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea?
1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea has a molecular weight of 230.69 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea is sourced from PubChem (CID 110748926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).