1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea

C17H14ClF3N2O — CID 74226457

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)NC1Cc2ccccc2C1
InChIInChI=1S/C17H14ClF3N2O/c18-12-5-6-15(14(9-12)17(19,20)21)23-16(24)22-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,22,23,24)
InChIKeyVKWSVCUYJIFBHZ-UHFFFAOYSA-N
MW354.76 g/mol
LogP4.65
Rot. Bonds2

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea (PubChem CID 74226457) has the molecular formula C17H14ClF3N2O and a molecular weight of 354.76 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
PubChem CID74226457
Molecular FormulaC17H14ClF3N2O
Molecular Weight354.76 g/mol
Exact Mass354.07
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)NC1Cc2ccccc2C1
InChIInChI=1S/C17H14ClF3N2O/c18-12-5-6-15(14(9-12)17(19,20)21)23-16(24)22-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,22,23,24)
InChIKeyVKWSVCUYJIFBHZ-UHFFFAOYSA-N
XLogP4.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(phenoxymethyl)urea
CID 108889014
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108900378
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(E)-2-phenylethenyl]urea
CID 108903352
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea (CID 74226457) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea is O=C(Nc1ccc(Cl)cc1C(F)(F)F)NC1Cc2ccccc2C1.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea?
The InChIKey is VKWSVCUYJIFBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O/c18-12-5-6-15(14(9-12)17(19,20)21)23-16(24)22-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,22,23,24).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea has a molecular weight of 354.76 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea is sourced from PubChem (CID 74226457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).