1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea

C17H12Cl2F6N2O3 — CID 2726180

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea
SMILESCOc1c(Cl)cc(Cl)c(OC)c1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H12Cl2F6N2O3/c1-29-13-10(18)6-11(19)14(30-2)12(13)27-15(28)26-9-4-7(16(20,21)22)3-8(5-9)17(23,24)25/h3-6H,1-2H3,(H2,26,27,28)
InChIKeyHBPQKVVZIJFGKX-UHFFFAOYSA-N
MW477.19 g/mol
LogP6.69
Rot. Bonds4

About 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea

1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea (PubChem CID 2726180) has the molecular formula C17H12Cl2F6N2O3 and a molecular weight of 477.19 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea
PubChem CID2726180
Molecular FormulaC17H12Cl2F6N2O3
Molecular Weight477.19 g/mol
Exact Mass476.01
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea
SMILESCOc1c(Cl)cc(Cl)c(OC)c1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H12Cl2F6N2O3/c1-29-13-10(18)6-11(19)14(30-2)12(13)27-15(28)26-9-4-7(16(20,21)22)3-8(5-9)17(23,24)25/h3-6H,1-2H3,(H2,26,27,28)
InChIKeyHBPQKVVZIJFGKX-UHFFFAOYSA-N
XLogP6.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.19
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843
1-(4-aminophenyl)-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 108897036
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 116700746
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
CID 2781465
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea
CID 116699308
N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
CID 4590286
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-4-chlorobenzoic acid
CID 11293246
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
1-[3,5-bis(trifluoromethyl)phenyl]-3-pentan-3-ylurea
CID 108888360

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea (CID 2726180) is 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea is COc1c(Cl)cc(Cl)c(OC)c1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea?
The InChIKey is HBPQKVVZIJFGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F6N2O3/c1-29-13-10(18)6-11(19)14(30-2)12(13)27-15(28)26-9-4-7(16(20,21)22)3-8(5-9)17(23,24)25/h3-6H,1-2H3,(H2,26,27,28).
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea?
1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea has a molecular weight of 477.19 g/mol, XLogP of 6.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,5-dichloro-2,6-dimethoxyphenyl)urea is sourced from PubChem (CID 2726180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).