1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea

C19H21F2N3O — CID 112990296

IUPAC1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2)cc1)NC1CCCCC1
InChIInChI=1S/C19H21F2N3O/c20-17-11-10-16(12-18(17)21)22-14-6-8-15(9-7-14)24-19(25)23-13-4-2-1-3-5-13/h6-13,22H,1-5H2,(H2,23,24,25)
InChIKeyMFHRWTZXSKYONL-UHFFFAOYSA-N
MW345.39 g/mol
LogP5.16
Rot. Bonds4

About 1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea

1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea (PubChem CID 112990296) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea
PubChem CID112990296
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2)cc1)NC1CCCCC1
InChIInChI=1S/C19H21F2N3O/c20-17-11-10-16(12-18(17)21)22-14-6-8-15(9-7-14)24-19(25)23-13-4-2-1-3-5-13/h6-13,22H,1-5H2,(H2,23,24,25)
InChIKeyMFHRWTZXSKYONL-UHFFFAOYSA-N
XLogP5.16
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.39
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64780517
1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea
CID 113023257
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-[4-(3-cyanoanilino)phenyl]-3-cyclohexylurea
CID 112989973
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
5-(cyclobutylcarbamoylamino)-2-fluorobenzoic acid
CID 62415401
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea
CID 107812710
1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea
CID 113018351
1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047848

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea (CID 112990296) is 1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea is O=C(Nc1ccc(Nc2ccc(F)c(F)c2)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea?
The InChIKey is MFHRWTZXSKYONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-17-11-10-16(12-18(17)21)22-14-6-8-15(9-7-14)24-19(25)23-13-4-2-1-3-5-13/h6-13,22H,1-5H2,(H2,23,24,25).
What are the key properties of 1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea?
1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea has a molecular weight of 345.39 g/mol, XLogP of 5.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea is sourced from PubChem (CID 112990296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).