1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea

C23H19F2N3O2 — CID 46384382

IUPAC1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
SMILESCc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4cc(F)ccc4F)cc32)cc1
InChIInChI=1S/C23H19F2N3O2/c1-14-2-4-16(5-3-14)22(29)28-11-10-15-6-8-18(13-21(15)28)26-23(30)27-20-12-17(24)7-9-19(20)25/h2-9,12-13H,10-11H2,1H3,(H2,26,27,30)
InChIKeyBPLVPKZSEWABCP-UHFFFAOYSA-N
MW407.42 g/mol
LogP5.12
Rot. Bonds3

About 1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea

1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea (PubChem CID 46384382) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
PubChem CID46384382
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
SMILESCc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4cc(F)ccc4F)cc32)cc1
InChIInChI=1S/C23H19F2N3O2/c1-14-2-4-16(5-3-14)22(29)28-11-10-15-6-8-18(13-21(15)28)26-23(30)27-20-12-17(24)7-9-19(20)25/h2-9,12-13H,10-11H2,1H3,(H2,26,27,30)
InChIKeyBPLVPKZSEWABCP-UHFFFAOYSA-N
XLogP5.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea
CID 46384443
1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea
CID 46384359
1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384350
1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384342
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384390
1-(2,5-difluorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099754
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502194
1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099451
5-fluoro-2-methyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102645
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
CID 30372487
6-[(2-fluoro-5-methylphenyl)carbamoylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 140590676

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea (CID 46384382) is 1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea is Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4cc(F)ccc4F)cc32)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
The InChIKey is BPLVPKZSEWABCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c1-14-2-4-16(5-3-14)22(29)28-11-10-15-6-8-18(13-21(15)28)26-23(30)27-20-12-17(24)7-9-19(20)25/h2-9,12-13H,10-11H2,1H3,(H2,26,27,30).
What are the key properties of 1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea has a molecular weight of 407.42 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea is sourced from PubChem (CID 46384382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).