1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea

C14H17ClN2O — CID 113090728

IUPAC1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)NC1CC1
InChIInChI=1S/C14H17ClN2O/c15-11-3-1-10(2-4-11)14(7-8-14)9-16-13(18)17-12-5-6-12/h1-4,12H,5-9H2,(H2,16,17,18)
InChIKeyJUPOGVRWWWAZOB-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.83
Rot. Bonds4

About 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea (PubChem CID 113090728) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
PubChem CID113090728
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)NC1CC1
InChIInChI=1S/C14H17ClN2O/c15-11-3-1-10(2-4-11)14(7-8-14)9-16-13(18)17-12-5-6-12/h1-4,12H,5-9H2,(H2,16,17,18)
InChIKeyJUPOGVRWWWAZOB-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 113090708
4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122008314
1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 118786770
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119315649
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 119749968
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772678

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea (CID 113090728) is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea is O=C(NCC1(c2ccc(Cl)cc2)CC1)NC1CC1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea?
The InChIKey is JUPOGVRWWWAZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-11-3-1-10(2-4-11)14(7-8-14)9-16-13(18)17-12-5-6-12/h1-4,12H,5-9H2,(H2,16,17,18).
What are the key properties of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea?
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea has a molecular weight of 264.76 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea is sourced from PubChem (CID 113090728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).