3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide

C29H25FN2O2 — CID 4578736

IUPAC3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CC(c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C29H25FN2O2/c30-23-14-12-22(13-15-23)26(17-29(33)31-18-24-9-6-16-34-24)27-20-32(19-21-7-2-1-3-8-21)28-11-5-4-10-25(27)28/h1-16,20,26H,17-19H2,(H,31,33)
InChIKeyXNZNQSGNSWOCTN-UHFFFAOYSA-N
MW452.53 g/mol
LogP6.26
Rot. Bonds8

About 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide

3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide (PubChem CID 4578736) has the molecular formula C29H25FN2O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
PubChem CID4578736
Molecular FormulaC29H25FN2O2
Molecular Weight452.53 g/mol
Exact Mass452.19
IUPAC Name3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CC(c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C29H25FN2O2/c30-23-14-12-22(13-15-23)26(17-29(33)31-18-24-9-6-16-34-24)27-20-32(19-21-7-2-1-3-8-21)28-11-5-4-10-25(27)28/h1-16,20,26H,17-19H2,(H,31,33)
InChIKeyXNZNQSGNSWOCTN-UHFFFAOYSA-N
XLogP6.26
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115
(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 98444385
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide
CID 4266396
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide
CID 3986861
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide
CID 83275455
3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 71957654
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
(3S)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(furan-2-ylmethyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
CID 98444374
3-(1-benzyl-5-nitroindol-3-yl)-N-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 83279167
(3S)-N-benzyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92952967
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98443722
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 5003122

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide (CID 4578736) is 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide is O=C(CC(c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1.
What is the InChIKey of 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is XNZNQSGNSWOCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O2/c30-23-14-12-22(13-15-23)26(17-29(33)31-18-24-9-6-16-34-24)27-20-32(19-21-7-2-1-3-8-21)28-11-5-4-10-25(27)28/h1-16,20,26H,17-19H2,(H,31,33).
What are the key properties of 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide?
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 452.53 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 4578736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).