1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea

C19H21ClN2O3 — CID 113213943

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCOc1cc(NC(=O)NCC2(c3ccccc3)CC2)c(OC)cc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-24-16-11-15(17(25-2)10-14(16)20)22-18(23)21-12-19(8-9-19)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H2,21,22,23)
InChIKeyRGRAHGWJKWMHHO-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.21
Rot. Bonds6

About 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea

1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 113213943) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID113213943
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCOc1cc(NC(=O)NCC2(c3ccccc3)CC2)c(OC)cc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-24-16-11-15(17(25-2)10-14(16)20)22-18(23)21-12-19(8-9-19)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H2,21,22,23)
InChIKeyRGRAHGWJKWMHHO-UHFFFAOYSA-N
XLogP4.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
CID 52594568
1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113214996
1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea
CID 110676079
1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea
CID 113214892
1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214737
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 31075821
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide
CID 42145534
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 113214456
2-(2,4-dichlorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 42145569

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea (CID 113213943) is 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea is COc1cc(NC(=O)NCC2(c3ccccc3)CC2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is RGRAHGWJKWMHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-24-16-11-15(17(25-2)10-14(16)20)22-18(23)21-12-19(8-9-19)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 360.84 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 113213943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).