1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

C14H10Cl2F3N3O — CID 127573768

IUPAC1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
SMILESNc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2F3N3O/c15-10-3-2-8(6-9(10)14(17,18)19)21-13(23)22-12-4-1-7(20)5-11(12)16/h1-6H,20H2,(H2,21,22,23)
InChIKeySLFDUEMJSXVRQE-UHFFFAOYSA-N
MW364.15 g/mol
LogP5.24
Rot. Bonds2

About 1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea (PubChem CID 127573768) has the molecular formula C14H10Cl2F3N3O and a molecular weight of 364.15 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
PubChem CID127573768
Molecular FormulaC14H10Cl2F3N3O
Molecular Weight364.15 g/mol
Exact Mass363.02
IUPAC Name1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
SMILESNc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2F3N3O/c15-10-3-2-8(6-9(10)14(17,18)19)21-13(23)22-12-4-1-7(20)5-11(12)16/h1-6H,20H2,(H2,21,22,23)
InChIKeySLFDUEMJSXVRQE-UHFFFAOYSA-N
XLogP5.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.15
LogP ≤ 55.24
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-(4-chloro-3-methylphenyl)urea
CID 153024468
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-hydroxyphenyl)urea
CID 53465158
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dihydroxyphenyl)urea
CID 108895420
1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 98000868
1-(4-bromo-7-hydroxynaphthalen-1-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 90831668
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea
CID 108909133
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 110372029
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] trifluoromethanesulfonate
CID 19433252

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea (CID 127573768) is 1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea is Nc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
The InChIKey is SLFDUEMJSXVRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N3O/c15-10-3-2-8(6-9(10)14(17,18)19)21-13(23)22-12-4-1-7(20)5-11(12)16/h1-6H,20H2,(H2,21,22,23).
What are the key properties of 1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea has a molecular weight of 364.15 g/mol, XLogP of 5.24, 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-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 127573768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).