N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide

C18H16F2N2O — CID 71840774

IUPACN-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide
SMILESO=C(CCc1ccc2cc[nH]c2c1)NCc1cc(F)ccc1F
InChIInChI=1S/C18H16F2N2O/c19-15-4-5-16(20)14(10-15)11-22-18(23)6-2-12-1-3-13-7-8-21-17(13)9-12/h1,3-5,7-10,21H,2,6,11H2,(H,22,23)
InChIKeyOKSKKPUAHAEYIG-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.70
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide

N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide (PubChem CID 71840774) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide
PubChem CID71840774
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide
SMILESO=C(CCc1ccc2cc[nH]c2c1)NCc1cc(F)ccc1F
InChIInChI=1S/C18H16F2N2O/c19-15-4-5-16(20)14(10-15)11-22-18(23)6-2-12-1-3-13-7-8-21-17(13)9-12/h1,3-5,7-10,21H,2,6,11H2,(H,22,23)
InChIKeyOKSKKPUAHAEYIG-UHFFFAOYSA-N
XLogP3.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 71840750
N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide
CID 71830169
3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840754
3-(1H-indol-6-yl)propanoic acid
CID 23178857
N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793376
N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide
CID 71840809
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
N-[(2,5-difluorophenyl)methyl]-3-oxobutanamide
CID 63795355
N-[(2-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 39717434
N-(1H-indol-6-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70779617
N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide
CID 63794479

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide (CID 71840774) is N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide is O=C(CCc1ccc2cc[nH]c2c1)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide?
The InChIKey is OKSKKPUAHAEYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c19-15-4-5-16(20)14(10-15)11-22-18(23)6-2-12-1-3-13-7-8-21-17(13)9-12/h1,3-5,7-10,21H,2,6,11H2,(H,22,23).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide?
N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide has a molecular weight of 314.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide is sourced from PubChem (CID 71840774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).