1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea

C14H13Cl2N3O — CID 153024468

IUPAC1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(N)cc2Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3O/c1-8-6-10(3-4-11(8)15)18-14(20)19-13-5-2-9(17)7-12(13)16/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyVCOROZPYYDTYFL-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.53
Rot. Bonds2

About 1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea

1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea (PubChem CID 153024468) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea
PubChem CID153024468
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(N)cc2Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3O/c1-8-6-10(3-4-11(8)15)18-14(20)19-13-5-2-9(17)7-12(13)16/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyVCOROZPYYDTYFL-UHFFFAOYSA-N
XLogP4.53
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-chlorophenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885532
1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 127573768
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(4-chloro-3-methylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860179
1-(4-amino-2-chlorophenyl)-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
CID 108872147
1-(4-amino-2-chlorophenyl)-3-tert-butylurea
CID 28785677
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
CID 64787940
1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16771122
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea?
The IUPAC name of 1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea (CID 153024468) is 1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea is Cc1cc(NC(=O)Nc2ccc(N)cc2Cl)ccc1Cl.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea?
The InChIKey is VCOROZPYYDTYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-8-6-10(3-4-11(8)15)18-14(20)19-13-5-2-9(17)7-12(13)16/h2-7H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea?
1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea has a molecular weight of 310.18 g/mol, XLogP of 4.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea is sourced from PubChem (CID 153024468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).