N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide

C18H17ClN2O — CID 7926669

IUPACN-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)c(Cl)c1
InChIInChI=1S/C18H17ClN2O/c1-12-6-8-17(15(19)10-12)21-18(22)9-7-13-11-20-16-5-3-2-4-14(13)16/h2-6,8,10-11,20H,7,9H2,1H3,(H,21,22)
InChIKeyCFWWNQLCNBJRNQ-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.70
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide

N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 7926669) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID7926669
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)c(Cl)c1
InChIInChI=1S/C18H17ClN2O/c1-12-6-8-17(15(19)10-12)21-18(22)9-7-13-11-20-16-5-3-2-4-14(13)16/h2-6,8,10-11,20H,7,9H2,1H3,(H,21,22)
InChIKeyCFWWNQLCNBJRNQ-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527
methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate
CID 29454881
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
[2-(2-chloro-4-methylanilino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55928101
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide
CID 55900685
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 26159622
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 55727249

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide (CID 7926669) is N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide is Cc1ccc(NC(=O)CCc2c[nH]c3ccccc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is CFWWNQLCNBJRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-12-6-8-17(15(19)10-12)21-18(22)9-7-13-11-20-16-5-3-2-4-14(13)16/h2-6,8,10-11,20H,7,9H2,1H3,(H,21,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide?
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 312.80 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 7926669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).