3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide

C18H17ClN2O — CID 59831641

IUPAC3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide
SMILESCNC(=O)CC(c1ccc(Cl)cc1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H17ClN2O/c1-20-18(22)11-16(12-4-6-15(19)7-5-12)14-3-2-13-8-9-21-17(13)10-14/h2-10,16,21H,11H2,1H3,(H,20,22)
InChIKeyJGBPHMSCOFBTIJ-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.09
Rot. Bonds4

About 3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide

3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide (PubChem CID 59831641) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide
PubChem CID59831641
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide
SMILESCNC(=O)CC(c1ccc(Cl)cc1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H17ClN2O/c1-20-18(22)11-16(12-4-6-15(19)7-5-12)14-3-2-13-8-9-21-17(13)10-14/h2-10,16,21H,11H2,1H3,(H,20,22)
InChIKeyJGBPHMSCOFBTIJ-UHFFFAOYSA-N
XLogP4.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide
CID 59831810
3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropanamide
CID 67356165
3-(4-chlorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82132170
(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911528
methyl 3,4-dihydroxy-4-(1H-indol-6-yl)butanoate
CID 171895762
methyl (3S)-3-amino-3-(1H-indol-6-yl)propanoate;hydrochloride
CID 171241467
(3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine
CID 124567431
3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine
CID 59831603
1-(1H-indol-6-yl)-N-methylethanamine
CID 66967768
ethyl (3S)-3-amino-3-(1H-indol-6-yl)propanoate
CID 171225204
(3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 26400241
(3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 26400238

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide (CID 59831641) is 3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide is CNC(=O)CC(c1ccc(Cl)cc1)c1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide?
The InChIKey is JGBPHMSCOFBTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-20-18(22)11-16(12-4-6-15(19)7-5-12)14-3-2-13-8-9-21-17(13)10-14/h2-10,16,21H,11H2,1H3,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide?
3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide has a molecular weight of 312.80 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(1H-indol-6-yl)-N-methylpropanamide is sourced from PubChem (CID 59831641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).