N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide

C19H19ClN2O — CID 2114507

IUPACN-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c20-16-10-8-14(9-11-16)12-22-19(23)7-3-4-15-13-21-18-6-2-1-5-17(15)18/h1-2,5-6,8-11,13,21H,3-4,7,12H2,(H,22,23)
InChIKeyJZCWGMDQSMRURV-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.46
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide

N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 2114507) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
PubChem CID2114507
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c20-16-10-8-14(9-11-16)12-22-19(23)7-3-4-15-13-21-18-6-2-1-5-17(15)18/h1-2,5-6,8-11,13,21H,3-4,7,12H2,(H,22,23)
InChIKeyJZCWGMDQSMRURV-UHFFFAOYSA-N
XLogP4.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
CID 588709
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
CID 46671165
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 32828147
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide (CID 2114507) is N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is JZCWGMDQSMRURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-16-10-8-14(9-11-16)12-22-19(23)7-3-4-15-13-21-18-6-2-1-5-17(15)18/h1-2,5-6,8-11,13,21H,3-4,7,12H2,(H,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide?
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 326.83 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 2114507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).