1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea

C16H10ClF4N3O — CID 155412414

IUPAC1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)c2c(F)c[nH]c2c1
InChIInChI=1S/C16H10ClF4N3O/c17-11-5-10(6-13-14(11)12(18)7-22-13)24-15(25)23-9-3-1-8(2-4-9)16(19,20)21/h1-7,22H,(H2,23,24,25)
InChIKeyNUPIRURWNDGCSM-UHFFFAOYSA-N
MW371.72 g/mol
LogP5.62
Rot. Bonds2

About 1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea

1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 155412414) has the molecular formula C16H10ClF4N3O and a molecular weight of 371.72 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID155412414
Molecular FormulaC16H10ClF4N3O
Molecular Weight371.72 g/mol
Exact Mass371.04
IUPAC Name1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)c2c(F)c[nH]c2c1
InChIInChI=1S/C16H10ClF4N3O/c17-11-5-10(6-13-14(11)12(18)7-22-13)24-15(25)23-9-3-1-8(2-4-9)16(19,20)21/h1-7,22H,(H2,23,24,25)
InChIKeyNUPIRURWNDGCSM-UHFFFAOYSA-N
XLogP5.62
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.72
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1055725
N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide
CID 155412401
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17300332
1-(4-chlorophenyl)-3-[4-[C-methyl-N-[4-(trifluoromethyl)anilino]carbonimidoyl]phenyl]urea
CID 3694395
1-(4-chlorophenyl)-3-(3,5-difluoro-2-hydroxyphenyl)urea;1-(3,5-dichlorophenyl)-3-(3,5-difluoro-2-hydroxyphenyl)urea;1-(3,5-difluoro-2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 157385128
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278
1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
CID 7616069
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 155412414) is 1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)c2c(F)c[nH]c2c1.
What is the InChIKey of 1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is NUPIRURWNDGCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4N3O/c17-11-5-10(6-13-14(11)12(18)7-22-13)24-15(25)23-9-3-1-8(2-4-9)16(19,20)21/h1-7,22H,(H2,23,24,25).
What are the key properties of 1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 371.72 g/mol, XLogP of 5.62, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 155412414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).