N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide

C20H21ClN2O — CID 4796028

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O/c21-17-10-8-15(9-11-17)12-13-22-20(24)7-3-4-16-14-23-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,23H,3-4,7,12-13H2,(H,22,24)
InChIKeyTYCFICQSXYGFCI-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.50
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide

N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 4796028) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID4796028
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O/c21-17-10-8-15(9-11-17)12-13-22-20(24)7-3-4-16-14-23-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,23H,3-4,7,12-13H2,(H,22,24)
InChIKeyTYCFICQSXYGFCI-UHFFFAOYSA-N
XLogP4.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 24544360
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
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
3-(4-chlorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 2108565

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide (CID 4796028) is N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is TYCFICQSXYGFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-17-10-8-15(9-11-17)12-13-22-20(24)7-3-4-16-14-23-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,23H,3-4,7,12-13H2,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide?
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 340.85 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 4796028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).