2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

C25H24ClN3O3 — CID 86951550

IUPAC2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
SMILESCc1cc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)c(C)o1
InChIInChI=1S/C25H24ClN3O3/c1-15-11-17(16(2)32-15)13-28-25(31)23(29-24(30)20-8-3-5-9-21(20)26)12-18-14-27-22-10-6-4-7-19(18)22/h3-11,14,23,27H,12-13H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyCUTOBQPZTPOBMT-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.69
Rot. Bonds7

About 2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide (PubChem CID 86951550) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
PubChem CID86951550
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC Name2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
SMILESCc1cc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)c(C)o1
InChIInChI=1S/C25H24ClN3O3/c1-15-11-17(16(2)32-15)13-28-25(31)23(29-24(30)20-8-3-5-9-21(20)26)12-18-14-27-22-10-6-4-7-19(18)22/h3-11,14,23,27H,12-13H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyCUTOBQPZTPOBMT-UHFFFAOYSA-N
XLogP4.69
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 78783619
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CID 2099194
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
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024
2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 24539135
2-chloro-N-[1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 24638904
N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 4808607
(2S)-2-acetamido-N-[(2,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 35806397
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
N-[1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2,4-dichlorobenzamide
CID 54761488

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide (CID 86951550) is 2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide is Cc1cc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)c(C)o1.
What is the InChIKey of 2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
The InChIKey is CUTOBQPZTPOBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-15-11-17(16(2)32-15)13-28-25(31)23(29-24(30)20-8-3-5-9-21(20)26)12-18-14-27-22-10-6-4-7-19(18)22/h3-11,14,23,27H,12-13H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide has a molecular weight of 449.94 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 86951550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).