N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide

C19H18ClFN2O — CID 75444329

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H18ClFN2O/c1-23(12-15-16(20)3-2-4-17(15)21)19(24)8-6-13-5-7-18-14(11-13)9-10-22-18/h2-5,7,9-11,22H,6,8,12H2,1H3
InChIKeyKNGGLKSXATZNQQ-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.55
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide

N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide (PubChem CID 75444329) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide
PubChem CID75444329
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H18ClFN2O/c1-23(12-15-16(20)3-2-4-17(15)21)19(24)8-6-13-5-7-18-14(11-13)9-10-22-18/h2-5,7,9-11,22H,6,8,12H2,1H3
InChIKeyKNGGLKSXATZNQQ-UHFFFAOYSA-N
XLogP4.55
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 94393869
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763351
3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 60936879
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 2450064
N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
5-[(2-chloro-6-fluorophenyl)methoxy]-1H-indole
CID 80642309
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide (CID 75444329) is N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide is CN(Cc1c(F)cccc1Cl)C(=O)CCc1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide?
The InChIKey is KNGGLKSXATZNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c1-23(12-15-16(20)3-2-4-17(15)21)19(24)8-6-13-5-7-18-14(11-13)9-10-22-18/h2-5,7,9-11,22H,6,8,12H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide has a molecular weight of 344.82 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide is sourced from PubChem (CID 75444329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).