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

C14H14ClN3O — CID 82862192

IUPAC1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C14H14ClN3O/c1-9-2-4-10(5-3-9)17-14(19)18-11-6-7-13(16)12(15)8-11/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyJTRQWFUTRFBHTP-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.87
Rot. Bonds2

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

1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea (PubChem CID 82862192) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
PubChem CID82862192
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C14H14ClN3O/c1-9-2-4-10(5-3-9)17-14(19)18-11-6-7-13(16)12(15)8-11/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyJTRQWFUTRFBHTP-UHFFFAOYSA-N
XLogP3.87
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.87
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-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 82861747
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108516205
1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869425
1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443
1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866651
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(4-amino-3-chlorophenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914663
1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
CID 108897070
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea (CID 82862192) is 1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(N)c(Cl)c2)cc1.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea?
The InChIKey is JTRQWFUTRFBHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9-2-4-10(5-3-9)17-14(19)18-11-6-7-13(16)12(15)8-11/h2-8H,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea?
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea has a molecular weight of 275.74 g/mol, XLogP of 3.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 82862192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).