3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea

C25H24FN3O — CID 42695619

IUPAC3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCc1ccccc1)N(CCc1c[nH]c2ccccc12)Cc1ccccc1F
InChIInChI=1S/C25H24FN3O/c26-23-12-6-4-10-21(23)18-29(25(30)28-16-19-8-2-1-3-9-19)15-14-20-17-27-24-13-7-5-11-22(20)24/h1-13,17,27H,14-16,18H2,(H,28,30)
InChIKeyRVEGOYRBUIKHNG-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.26
Rot. Bonds7

About 3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea

3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 42695619) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID42695619
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCc1ccccc1)N(CCc1c[nH]c2ccccc12)Cc1ccccc1F
InChIInChI=1S/C25H24FN3O/c26-23-12-6-4-10-21(23)18-29(25(30)28-16-19-8-2-1-3-9-19)15-14-20-17-27-24-13-7-5-11-22(20)24/h1-13,17,27H,14-16,18H2,(H,28,30)
InChIKeyRVEGOYRBUIKHNG-UHFFFAOYSA-N
XLogP5.26
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4205896
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N'-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108531516
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772400
4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42698598
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate
CID 42772435
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4998732
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide
CID 152655890

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea (CID 42695619) is 3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea is O=C(NCc1ccccc1)N(CCc1c[nH]c2ccccc12)Cc1ccccc1F.
What is the InChIKey of 3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is RVEGOYRBUIKHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c26-23-12-6-4-10-21(23)18-29(25(30)28-16-19-8-2-1-3-9-19)15-14-20-17-27-24-13-7-5-11-22(20)24/h1-13,17,27H,14-16,18H2,(H,28,30).
What are the key properties of 3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea?
3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 401.49 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(2-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 42695619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).