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

C15H9Cl3F3N3O2 — CID 4643198

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea
SMILESO=C(NNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H9Cl3F3N3O2/c16-7-2-4-12(10(5-7)15(19,20)21)22-14(26)24-23-13(25)9-3-1-8(17)6-11(9)18/h1-6H,(H,23,25)(H2,22,24,26)
InChIKeyZWNXFDWCUKPSGP-UHFFFAOYSA-N
MW426.61 g/mol
LogP5.13
Rot. Bonds2

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

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea (PubChem CID 4643198) has the molecular formula C15H9Cl3F3N3O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea
PubChem CID4643198
Molecular FormulaC15H9Cl3F3N3O2
Molecular Weight426.61 g/mol
Exact Mass424.97
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea
SMILESO=C(NNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H9Cl3F3N3O2/c16-7-2-4-12(10(5-7)15(19,20)21)22-14(26)24-23-13(25)9-3-1-8(17)6-11(9)18/h1-6H,(H,23,25)(H2,22,24,26)
InChIKeyZWNXFDWCUKPSGP-UHFFFAOYSA-N
XLogP5.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
2,3-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 2296110
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
(2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 4621666
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea (CID 4643198) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea is O=C(NNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea?
The InChIKey is ZWNXFDWCUKPSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3F3N3O2/c16-7-2-4-12(10(5-7)15(19,20)21)22-14(26)24-23-13(25)9-3-1-8(17)6-11(9)18/h1-6H,(H,23,25)(H2,22,24,26).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea has a molecular weight of 426.61 g/mol, XLogP of 5.13, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea is sourced from PubChem (CID 4643198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).