1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea

C15H8Cl3F3N6O — CID 10456493

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1c(Cl)cc(Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C15H8Cl3F3N6O/c16-6-3-8(13-24-26-27-25-13)12(11(18)4-6)23-14(28)22-7-1-2-10(17)9(5-7)15(19,20)21/h1-5H,(H2,22,23,28)(H,24,25,26,27)
InChIKeyPIWNPWLOOIEYOV-UHFFFAOYSA-N
MW451.62 g/mol
LogP5.49
Rot. Bonds3

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea (PubChem CID 10456493) has the molecular formula C15H8Cl3F3N6O and a molecular weight of 451.62 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea
PubChem CID10456493
Molecular FormulaC15H8Cl3F3N6O
Molecular Weight451.62 g/mol
Exact Mass449.98
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1c(Cl)cc(Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C15H8Cl3F3N6O/c16-6-3-8(13-24-26-27-25-13)12(11(18)4-6)23-14(28)22-7-1-2-10(17)9(5-7)15(19,20)21/h1-5H,(H2,22,23,28)(H,24,25,26,27)
InChIKeyPIWNPWLOOIEYOV-UHFFFAOYSA-N
XLogP5.49
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.62
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]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

1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea
CID 17180029
1-[3,5-bis(trifluoromethyl)phenyl]-3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]urea
CID 10411496
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 10093396
Unii-4P8laf78C2
CID 10161765
1-[2-(2H-tetrazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10315704
1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
CID 10452652
1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 11156132
1-[4-Chloro-2-(1H-tetrazol-5-yl)-phenyl]-3-(4-chloro-3-trifluoromethyl-phenyl)-urea
CID 11177530
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea
CID 11271678
1-(2-chlorophenyl)-3-[2-(2H-tetrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11282559
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)phenyl]urea
CID 11386007
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]urea
CID 11408337

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea (CID 10456493) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1c(Cl)cc(Cl)cc1-c1nn[nH]n1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea?
The InChIKey is PIWNPWLOOIEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3F3N6O/c16-6-3-8(13-24-26-27-25-13)12(11(18)4-6)23-14(28)22-7-1-2-10(17)9(5-7)15(19,20)21/h1-5H,(H2,22,23,28)(H,24,25,26,27).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea has a molecular weight of 451.62 g/mol, XLogP of 5.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]urea is sourced from PubChem (CID 10456493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).