1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea

C18H16ClN3O — CID 113214561

IUPAC1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H16ClN3O/c19-15-6-4-14(5-7-15)18(8-9-18)12-21-17(23)22-16-3-1-2-13(10-16)11-20/h1-7,10H,8-9,12H2,(H2,21,22,23)
InChIKeyRJWUYJKZSYGZPR-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.06
Rot. Bonds4

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

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea (PubChem CID 113214561) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea
PubChem CID113214561
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H16ClN3O/c19-15-6-4-14(5-7-15)18(8-9-18)12-21-17(23)22-16-3-1-2-13(10-16)11-20/h1-7,10H,8-9,12H2,(H2,21,22,23)
InChIKeyRJWUYJKZSYGZPR-UHFFFAOYSA-N
XLogP4.06
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214747
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-[[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]methyl]-3-(3,5-dichlorophenyl)urea
CID 70906882
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080
1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea
CID 103352667
1-(2-chloroethyl)-3-(3-cyanophenyl)urea
CID 11736224
1-(4-cyanophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214424
1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 114750430
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
1-(4-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214748
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea (CID 113214561) is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea is N#Cc1cccc(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea?
The InChIKey is RJWUYJKZSYGZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-15-6-4-14(5-7-15)18(8-9-18)12-21-17(23)22-16-3-1-2-13(10-16)11-20/h1-7,10H,8-9,12H2,(H2,21,22,23).
What are the key properties of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea?
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea has a molecular weight of 325.80 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea is sourced from PubChem (CID 113214561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).