1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea

C14H10Cl2N4O — CID 107652968

IUPAC1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea
SMILESN#Cc1cc(N)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2N4O/c15-9-4-10(16)6-12(5-9)19-14(21)20-13-2-1-11(18)3-8(13)7-17/h1-6H,18H2,(H2,19,20,21)
InChIKeyMOLOUTGIKMIQFH-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.09
Rot. Bonds2

About 1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea

1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107652968) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea
PubChem CID107652968
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea
SMILESN#Cc1cc(N)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2N4O/c15-9-4-10(16)6-12(5-9)19-14(21)20-13-2-1-11(18)3-8(13)7-17/h1-6H,18H2,(H2,19,20,21)
InChIKeyMOLOUTGIKMIQFH-UHFFFAOYSA-N
XLogP4.09
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide
CID 107986297
1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107653480
N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide
CID 43548896
1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 43551365
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
1-(4-aminophenyl)-3-(3-chloro-4-cyanophenyl)urea
CID 43469099
1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652937
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
CID 63194249
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
1-(4-amino-2-chlorophenyl)-3-(cyanomethyl)urea
CID 108864717
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea (CID 107652968) is 1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea is N#Cc1cc(N)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is MOLOUTGIKMIQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-9-4-10(16)6-12(5-9)19-14(21)20-13-2-1-11(18)3-8(13)7-17/h1-6H,18H2,(H2,19,20,21).
What are the key properties of 1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea?
1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 321.17 g/mol, XLogP of 4.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107652968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).