4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide

C20H20ClN3O2 — CID 26710991

IUPAC4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H20ClN3O2/c21-16-7-5-14(6-8-16)20(26)23-12-10-19(25)22-11-9-15-13-24-18-4-2-1-3-17(15)18/h1-8,13,24H,9-12H2,(H,22,25)(H,23,26)
InChIKeyAEGBDAXMIXYXMC-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.30
Rot. Bonds7

About 4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide

4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide (PubChem CID 26710991) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
PubChem CID26710991
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H20ClN3O2/c21-16-7-5-14(6-8-16)20(26)23-12-10-19(25)22-11-9-15-13-24-18-4-2-1-3-17(15)18/h1-8,13,24H,9-12H2,(H,22,25)(H,23,26)
InChIKeyAEGBDAXMIXYXMC-UHFFFAOYSA-N
XLogP3.30
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419
3-(4-chlorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 2108565
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 16915177
6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159757
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043503

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide (CID 26710991) is 4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide?
The InChIKey is AEGBDAXMIXYXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-16-7-5-14(6-8-16)20(26)23-12-10-19(25)22-11-9-15-13-24-18-4-2-1-3-17(15)18/h1-8,13,24H,9-12H2,(H,22,25)(H,23,26).
What are the key properties of 4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide has a molecular weight of 369.85 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 26710991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).