1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea

C17H17ClN2O — CID 155436496

IUPAC1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea
SMILESO=C(NCC1CC1c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c18-14-6-8-15(9-7-14)20-17(21)19-11-13-10-16(13)12-4-2-1-3-5-12/h1-9,13,16H,10-11H2,(H2,19,20,21)
InChIKeyMRUWPFWORKJXOL-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.27
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea

1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea (PubChem CID 155436496) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea
PubChem CID155436496
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea
SMILESO=C(NCC1CC1c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c18-14-6-8-15(9-7-14)20-17(21)19-11-13-10-16(13)12-4-2-1-3-5-12/h1-9,13,16H,10-11H2,(H2,19,20,21)
InChIKeyMRUWPFWORKJXOL-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081607
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
4-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoylamino]butanoic acid
CID 122015490
1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea
CID 16922883
1-[(2-phenylcyclopropyl)methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 75422962
1-(4-chlorophenyl)-3-[[(3R,4R)-1-methyl-4-thiophen-2-ylpyrrolidin-3-yl]methyl]urea
CID 100829022
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
CID 3025488
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
CID 4610236
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea (CID 155436496) is 1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea is O=C(NCC1CC1c1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea?
The InChIKey is MRUWPFWORKJXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-6-8-15(9-7-14)20-17(21)19-11-13-10-16(13)12-4-2-1-3-5-12/h1-9,13,16H,10-11H2,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea?
1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea has a molecular weight of 300.79 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 155436496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).