N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide

C25H23ClN2O — CID 73333376

IUPACN-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide
SMILESCn1cc(C(CC(=O)Nc2cccc(Cl)c2)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H23ClN2O/c1-28-17-23(22-12-5-6-13-24(22)28)19(14-18-8-3-2-4-9-18)15-25(29)27-21-11-7-10-20(26)16-21/h2-13,16-17,19H,14-15H2,1H3,(H,27,29)
InChIKeyQEJXRDQLHCBFPK-UHFFFAOYSA-N
MW402.93 g/mol
LogP6.19
Rot. Bonds6

About N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide

N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide (PubChem CID 73333376) has the molecular formula C25H23ClN2O and a molecular weight of 402.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide
PubChem CID73333376
Molecular FormulaC25H23ClN2O
Molecular Weight402.93 g/mol
Exact Mass402.15
IUPAC NameN-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide
SMILESCn1cc(C(CC(=O)Nc2cccc(Cl)c2)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H23ClN2O/c1-28-17-23(22-12-5-6-13-24(22)28)19(14-18-8-3-2-4-9-18)15-25(29)27-21-11-7-10-20(26)16-21/h2-13,16-17,19H,14-15H2,1H3,(H,27,29)
InChIKeyQEJXRDQLHCBFPK-UHFFFAOYSA-N
XLogP6.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide
CID 4286910
1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea
CID 40519573
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide
CID 42777986
5-(3-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 62965895
1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 110537286
3-(1-benzylindol-3-yl)-N-ethoxy-4-phenylbutanamide
CID 42777985
N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 42804466
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 90535166
2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine
CID 83976836
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide (CID 73333376) is N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide is Cn1cc(C(CC(=O)Nc2cccc(Cl)c2)Cc2ccccc2)c2ccccc21.
What is the InChIKey of N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide?
The InChIKey is QEJXRDQLHCBFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O/c1-28-17-23(22-12-5-6-13-24(22)28)19(14-18-8-3-2-4-9-18)15-25(29)27-21-11-7-10-20(26)16-21/h2-13,16-17,19H,14-15H2,1H3,(H,27,29).
What are the key properties of N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide?
N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide has a molecular weight of 402.93 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 73333376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).