N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

C19H18F2N2O — CID 30707132

IUPACN-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H18F2N2O/c1-23(12-14-6-8-15(20)10-17(14)21)19(24)9-7-13-11-22-18-5-3-2-4-16(13)18/h2-6,8,10-11,22H,7,9,12H2,1H3
InChIKeyAYFPIMDRPQXBKY-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.04
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 30707132) has the molecular formula C19H18F2N2O and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID30707132
Molecular FormulaC19H18F2N2O
Molecular Weight328.36 g/mol
Exact Mass328.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H18F2N2O/c1-23(12-14-6-8-15(20)10-17(14)21)19(24)9-7-13-11-22-18-5-3-2-4-16(13)18/h2-6,8,10-11,22H,7,9,12H2,1H3
InChIKeyAYFPIMDRPQXBKY-UHFFFAOYSA-N
XLogP4.04
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
CID 112698086
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
CID 79270948
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 9439554
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 86908150
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 50984517
5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 54874892
3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 31180102
4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 38304184

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide (CID 30707132) is N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide is CN(Cc1ccc(F)cc1F)C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is AYFPIMDRPQXBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O/c1-23(12-14-6-8-15(20)10-17(14)21)19(24)9-7-13-11-22-18-5-3-2-4-16(13)18/h2-6,8,10-11,22H,7,9,12H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 328.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 30707132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).