1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea

C15H15BrClN3O2 — CID 144785007

IUPAC1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea
SMILESCc1cc(Br)ccc1OCc1c(Cl)cccc1NC(=O)NN
InChIInChI=1S/C15H15BrClN3O2/c1-9-7-10(16)5-6-14(9)22-8-11-12(17)3-2-4-13(11)19-15(21)20-18/h2-7H,8,18H2,1H3,(H2,19,20,21)
InChIKeyJUZGLLOJDIQPFU-UHFFFAOYSA-N
MW384.66 g/mol
LogP3.99
Rot. Bonds4

About 1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea

1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea (PubChem CID 144785007) has the molecular formula C15H15BrClN3O2 and a molecular weight of 384.66 g/mol. Its IUPAC name is 1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea.

Molecular Properties

Compound Name1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea
PubChem CID144785007
Molecular FormulaC15H15BrClN3O2
Molecular Weight384.66 g/mol
Exact Mass383.00
IUPAC Name1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea
SMILESCc1cc(Br)ccc1OCc1c(Cl)cccc1NC(=O)NN
InChIInChI=1S/C15H15BrClN3O2/c1-9-7-10(16)5-6-14(9)22-8-11-12(17)3-2-4-13(11)19-15(21)20-18/h2-7H,8,18H2,1H3,(H2,19,20,21)
InChIKeyJUZGLLOJDIQPFU-UHFFFAOYSA-N
XLogP3.99
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.66
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate
CID 129038323
2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465253
1-[3-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea
CID 129038805
4-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5176598
1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144783811
fluoromethyl N-[3-chloro-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamate
CID 126588118
N-[3-chloro-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038837
N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide
CID 126588913
3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
CID 144932971
1-amino-3-[3-cyclopropyl-2-[[2-methyl-4-(6-methyl-3-pyridinyl)phenoxy]methyl]phenyl]urea
CID 144772839
1-amino-3-[2-[1-(4-bromophenyl)ethoxymethyl]-3-methylphenyl]urea
CID 144838970
methyl N-[3-chloro-2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]phenyl]carbamate
CID 126588620

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea?
The IUPAC name of 1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea (CID 144785007) is 1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea.
What is the SMILES notation for 1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea?
The canonical SMILES for 1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea is Cc1cc(Br)ccc1OCc1c(Cl)cccc1NC(=O)NN.
What is the InChIKey of 1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea?
The InChIKey is JUZGLLOJDIQPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O2/c1-9-7-10(16)5-6-14(9)22-8-11-12(17)3-2-4-13(11)19-15(21)20-18/h2-7H,8,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea?
1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea has a molecular weight of 384.66 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea is sourced from PubChem (CID 144785007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).