1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea

C14H11ClN4O2 — CID 14548767

IUPAC1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2cc(Cl)c(N)cc2O)cc1
InChIInChI=1S/C14H11ClN4O2/c15-10-5-12(13(20)6-11(10)17)19-14(21)18-9-3-1-8(7-16)2-4-9/h1-6,20H,17H2,(H2,18,19,21)
InChIKeySBVNMEXBPLHPQG-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.14
Rot. Bonds2

About 1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea

1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea (PubChem CID 14548767) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea.

Molecular Properties

Compound Name1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea
PubChem CID14548767
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2cc(Cl)c(N)cc2O)cc1
InChIInChI=1S/C14H11ClN4O2/c15-10-5-12(13(20)6-11(10)17)19-14(21)18-9-3-1-8(7-16)2-4-9/h1-6,20H,17H2,(H2,18,19,21)
InChIKeySBVNMEXBPLHPQG-UHFFFAOYSA-N
XLogP3.14
TPSA111.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxyphenyl]-2-methylhexanamide
CID 22950647
1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
CID 107808212
N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxyphenyl]-2-methylsulfonylhexanamide
CID 71158602
1-(4-cyanophenyl)-3-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)urea
CID 16662014
N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108515972
1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107653480
1-(4-cyanophenyl)-3-(3,5-dichloro-2-hydroxy-4-methylphenyl)urea;1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 159155631
N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108500274
1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
CID 64789061
1-(2-amino-6-chlorophenyl)-3-(3-cyanophenyl)urea
CID 62085872
2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
CID 16784091

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea?
The IUPAC name of 1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea (CID 14548767) is 1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea.
What is the SMILES notation for 1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea?
The canonical SMILES for 1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea is N#Cc1ccc(NC(=O)Nc2cc(Cl)c(N)cc2O)cc1.
What is the InChIKey of 1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea?
The InChIKey is SBVNMEXBPLHPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-10-5-12(13(20)6-11(10)17)19-14(21)18-9-3-1-8(7-16)2-4-9/h1-6,20H,17H2,(H2,18,19,21).
What are the key properties of 1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea?
1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea has a molecular weight of 302.72 g/mol, XLogP of 3.14, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea is sourced from PubChem (CID 14548767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).