1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea

C14H14ClN3O2 — CID 108888848

IUPAC1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea
SMILESNc1ccc(NC(=O)NCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H14ClN3O2/c15-12-8-10(16)6-7-13(12)18-14(19)17-9-20-11-4-2-1-3-5-11/h1-8H,9,16H2,(H2,17,18,19)
InChIKeyYUZLMUSMNZMYKI-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.08
Rot. Bonds4

About 1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea

1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea (PubChem CID 108888848) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea
PubChem CID108888848
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea
SMILESNc1ccc(NC(=O)NCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H14ClN3O2/c15-12-8-10(16)6-7-13(12)18-14(19)17-9-20-11-4-2-1-3-5-11/h1-8H,9,16H2,(H2,17,18,19)
InChIKeyYUZLMUSMNZMYKI-UHFFFAOYSA-N
XLogP3.08
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea
CID 108888756
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(phenoxymethyl)urea
CID 108889014
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1-(4-amino-2-chlorophenyl)-3-(cyanomethyl)urea
CID 108864717
1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
CID 108888748
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
1-(4-amino-2-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882763
1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 108902549
1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900021
1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108889015
1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
CID 108888745
4-amino-N-(phenoxymethylcarbamoyl)benzamide
CID 108888975

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea?
The IUPAC name of 1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea (CID 108888848) is 1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea is Nc1ccc(NC(=O)NCOc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea?
The InChIKey is YUZLMUSMNZMYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-12-8-10(16)6-7-13(12)18-14(19)17-9-20-11-4-2-1-3-5-11/h1-8H,9,16H2,(H2,17,18,19).
What are the key properties of 1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea?
1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea has a molecular weight of 291.74 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea is sourced from PubChem (CID 108888848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).