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

C19H19ClN2O — CID 7900447

IUPACN-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
SMILESCc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1Cl
InChIInChI=1S/C19H19ClN2O/c1-13-9-10-15(11-17(13)20)22-19(23)8-4-5-14-12-21-18-7-3-2-6-16(14)18/h2-3,6-7,9-12,21H,4-5,8H2,1H3,(H,22,23)
InChIKeyYEJRTEOKQCBOLM-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.09
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide (PubChem CID 7900447) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
PubChem CID7900447
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
SMILESCc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1Cl
InChIInChI=1S/C19H19ClN2O/c1-13-9-10-15(11-17(13)20)22-19(23)8-4-5-14-12-21-18-7-3-2-6-16(14)18/h2-3,6-7,9-12,21H,4-5,8H2,1H3,(H,22,23)
InChIKeyYEJRTEOKQCBOLM-UHFFFAOYSA-N
XLogP5.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112998163
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide
CID 20968974
4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 51044500
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide
CID 26761049
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
CID 112984004
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide
CID 7999030
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 7926214
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide (CID 7900447) is N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide is Cc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is YEJRTEOKQCBOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-13-9-10-15(11-17(13)20)22-19(23)8-4-5-14-12-21-18-7-3-2-6-16(14)18/h2-3,6-7,9-12,21H,4-5,8H2,1H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide?
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 326.83 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 7900447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).