1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea

C15H16ClN3O2 — CID 61013605

IUPAC1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea
SMILESCOc1ccc(N)cc1CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O2/c1-21-14-6-5-12(17)7-10(14)9-18-15(20)19-13-4-2-3-11(16)8-13/h2-8H,9,17H2,1H3,(H2,18,19,20)
InChIKeyKTJSOAYQTMDQEV-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.25
Rot. Bonds4

About 1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea

1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea (PubChem CID 61013605) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea
PubChem CID61013605
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea
SMILESCOc1ccc(N)cc1CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O2/c1-21-14-6-5-12(17)7-10(14)9-18-15(20)19-13-4-2-3-11(16)8-13/h2-8H,9,17H2,1H3,(H2,18,19,20)
InChIKeyKTJSOAYQTMDQEV-UHFFFAOYSA-N
XLogP3.25
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea
CID 43551130
1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 61014070
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
CID 61014183
1-(3-chlorophenyl)-3-(methoxymethoxy)urea
CID 110495475
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24528854
(2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate
CID 134112809
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
CID 110441168
1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
CID 1259121

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea (CID 61013605) is 1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea is COc1ccc(N)cc1CNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea?
The InChIKey is KTJSOAYQTMDQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-21-14-6-5-12(17)7-10(14)9-18-15(20)19-13-4-2-3-11(16)8-13/h2-8H,9,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea?
1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea has a molecular weight of 305.77 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 61013605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).