1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea

C9H12ClN3O3 — CID 43163908

IUPAC1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NN)c(OC)cc1Cl
InChIInChI=1S/C9H12ClN3O3/c1-15-7-4-6(12-9(14)13-11)8(16-2)3-5(7)10/h3-4H,11H2,1-2H3,(H2,12,13,14)
InChIKeyMKIHNJMCQSDIRW-UHFFFAOYSA-N
MW245.67 g/mol
LogP1.35
Rot. Bonds3

About 1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea

1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea (PubChem CID 43163908) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
PubChem CID43163908
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NN)c(OC)cc1Cl
InChIInChI=1S/C9H12ClN3O3/c1-15-7-4-6(12-9(14)13-11)8(16-2)3-5(7)10/h3-4H,11H2,1-2H3,(H2,12,13,14)
InChIKeyMKIHNJMCQSDIRW-UHFFFAOYSA-N
XLogP1.35
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea
CID 110676079
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
CID 81081918
N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 43616303
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
ethyl 2-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
CID 65225475
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860261

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea (CID 43163908) is 1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea is COc1cc(NC(=O)NN)c(OC)cc1Cl.
What is the InChIKey of 1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea?
The InChIKey is MKIHNJMCQSDIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c1-15-7-4-6(12-9(14)13-11)8(16-2)3-5(7)10/h3-4H,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea?
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea has a molecular weight of 245.67 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 43163908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).