2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

C20H20ClN3O3 — CID 78783619

IUPAC2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O3/c21-16-7-3-1-6-15(16)19(26)24-18(20(27)22-9-10-25)11-13-12-23-17-8-4-2-5-14(13)17/h1-8,12,18,23,25H,9-11H2,(H,22,27)(H,24,26)
InChIKeyCSXFRARSZKIFBK-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.27
Rot. Bonds7

About 2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide (PubChem CID 78783619) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
PubChem CID78783619
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O3/c21-16-7-3-1-6-15(16)19(26)24-18(20(27)22-9-10-25)11-13-12-23-17-8-4-2-5-14(13)17/h1-8,12,18,23,25H,9-11H2,(H,22,27)(H,24,26)
InChIKeyCSXFRARSZKIFBK-UHFFFAOYSA-N
XLogP2.27
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pentylamino)propan-2-yl]benzamide
CID 2099194
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024
N-[1-(2-acetylhydrazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 43011742
(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 2304951
2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 86951550
2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 24539135
2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)propan-2-yl]benzamide
CID 42954280
2-chloro-N-[1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 24638904
2-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylsulfanylanilino)-1-oxopropan-2-yl]benzamide
CID 46520929
methyl 4-[[2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]benzoate
CID 24639140
2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]benzamide
CID 43045761
N-[(2S)-1-(benzimidazol-1-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 35983873

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide (CID 78783619) is 2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide is O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
The InChIKey is CSXFRARSZKIFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c21-16-7-3-1-6-15(16)19(26)24-18(20(27)22-9-10-25)11-13-12-23-17-8-4-2-5-14(13)17/h1-8,12,18,23,25H,9-11H2,(H,22,27)(H,24,26).
What are the key properties of 2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide has a molecular weight of 385.85 g/mol, XLogP of 2.27, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 78783619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).