1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea

C15H16ClN3O2 — CID 108894768

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H16ClN3O2/c1-19(2)12-6-4-11(5-7-12)17-15(21)18-13-9-10(16)3-8-14(13)20/h3-9,20H,1-2H3,(H2,17,18,21)
InChIKeyQTNZRPTUDNRYJL-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.76
Rot. Bonds3

About 1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea

1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea (PubChem CID 108894768) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea
PubChem CID108894768
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H16ClN3O2/c1-19(2)12-6-4-11(5-7-12)17-15(21)18-13-9-10(16)3-8-14(13)20/h3-9,20H,1-2H3,(H2,17,18,21)
InChIKeyQTNZRPTUDNRYJL-UHFFFAOYSA-N
XLogP3.76
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108886172
1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 71414128
1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea
CID 108892711
4-[(5-chloro-2-hydroxyphenyl)carbamoylamino]benzenesulfinic acid
CID 118560126
N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598
N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57166144
3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]benzenesulfonyl fluoride
CID 118560117
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894872
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 71718728
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea (CID 108894768) is 1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea is CN(C)c1ccc(NC(=O)Nc2cc(Cl)ccc2O)cc1.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea?
The InChIKey is QTNZRPTUDNRYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-19(2)12-6-4-11(5-7-12)17-15(21)18-13-9-10(16)3-8-14(13)20/h3-9,20H,1-2H3,(H2,17,18,21).
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea?
1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea has a molecular weight of 305.77 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea is sourced from PubChem (CID 108894768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).