3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide

C16H12ClFN2O — CID 116623731

IUPAC3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(Cn2ccc3c(Cl)cccc32)c1
InChIInChI=1S/C16H12ClFN2O/c17-13-2-1-3-15-12(13)6-7-20(15)9-11-8-10(16(19)21)4-5-14(11)18/h1-8H,9H2,(H2,19,21)
InChIKeyFLHIMWRFNBPCSJ-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.58
Rot. Bonds3

About 3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide

3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide (PubChem CID 116623731) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide
PubChem CID116623731
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(Cn2ccc3c(Cl)cccc32)c1
InChIInChI=1S/C16H12ClFN2O/c17-13-2-1-3-15-12(13)6-7-20(15)9-11-8-10(16(19)21)4-5-14(11)18/h1-8H,9H2,(H2,19,21)
InChIKeyFLHIMWRFNBPCSJ-UHFFFAOYSA-N
XLogP3.58
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide
CID 116622998
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
3-fluoro-4-(indol-1-ylmethyl)benzamide
CID 63810466
[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516
4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
CID 63811780
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide
CID 28572210
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
4-fluoro-3-[(pyrrol-1-ylamino)methyl]benzamide
CID 79100839

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide?
The IUPAC name of 3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide (CID 116623731) is 3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(Cn2ccc3c(Cl)cccc32)c1.
What is the InChIKey of 3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide?
The InChIKey is FLHIMWRFNBPCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-13-2-1-3-15-12(13)6-7-20(15)9-11-8-10(16(19)21)4-5-14(11)18/h1-8H,9H2,(H2,19,21).
What are the key properties of 3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide?
3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide has a molecular weight of 302.74 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 116623731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).