3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide

C23H27ClN2O — CID 42802908

IUPAC3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide
SMILESCC(C)C(C)NC(=O)CC(c1ccc(Cl)cc1)c1cn(C)c2ccccc12
InChIInChI=1S/C23H27ClN2O/c1-15(2)16(3)25-23(27)13-20(17-9-11-18(24)12-10-17)21-14-26(4)22-8-6-5-7-19(21)22/h5-12,14-16,20H,13H2,1-4H3,(H,25,27)
InChIKeyWSDWELIFRVPLOY-UHFFFAOYSA-N
MW382.94 g/mol
LogP5.51
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide

3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide (PubChem CID 42802908) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide
PubChem CID42802908
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide
SMILESCC(C)C(C)NC(=O)CC(c1ccc(Cl)cc1)c1cn(C)c2ccccc12
InChIInChI=1S/C23H27ClN2O/c1-15(2)16(3)25-23(27)13-20(17-9-11-18(24)12-10-17)21-14-26(4)22-8-6-5-7-19(21)22/h5-12,14-16,20H,13H2,1-4H3,(H,25,27)
InChIKeyWSDWELIFRVPLOY-UHFFFAOYSA-N
XLogP5.51
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.94
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
CID 42776899
N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
CID 42774766
(3S)-3-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93122462
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
methyl (4S)-4-(1-methylindol-3-yl)-4-(4-methylphenyl)-2-oxobutanoate
CID 101458793
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide
CID 110004624
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98926923
(3S)-3-(1-benzyl-5-nitroindol-3-yl)-N-[(2R)-3-methylbutan-2-yl]-3-phenylpropanamide
CID 93120172
3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide
CID 4286910
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide
CID 4266396

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide (CID 42802908) is 3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide is CC(C)C(C)NC(=O)CC(c1ccc(Cl)cc1)c1cn(C)c2ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide?
The InChIKey is WSDWELIFRVPLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c1-15(2)16(3)25-23(27)13-20(17-9-11-18(24)12-10-17)21-14-26(4)22-8-6-5-7-19(21)22/h5-12,14-16,20H,13H2,1-4H3,(H,25,27).
What are the key properties of 3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide?
3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide has a molecular weight of 382.94 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 42802908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).