N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide

C24H20ClN3O3 — CID 10741465

IUPACN-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3ccccc43)cc2c1
InChIInChI=1S/C24H20ClN3O3/c1-13(29)26-16-6-7-19-14(8-16)9-20(27-19)24(31)28-12-15(11-25)23-18-5-3-2-4-17(18)22(30)10-21(23)28/h2-10,15,27,30H,11-12H2,1H3,(H,26,29)
InChIKeyMGBPLTCAPKOBMF-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.97
Rot. Bonds3

About N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide

N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide (PubChem CID 10741465) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide
PubChem CID10741465
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3ccccc43)cc2c1
InChIInChI=1S/C24H20ClN3O3/c1-13(29)26-16-6-7-19-14(8-16)9-20(27-19)24(31)28-12-15(11-25)23-18-5-3-2-4-17(18)22(30)10-21(23)28/h2-10,15,27,30H,11-12H2,1H3,(H,26,29)
InChIKeyMGBPLTCAPKOBMF-UHFFFAOYSA-N
XLogP4.97
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide?
The IUPAC name of N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide (CID 10741465) is N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide.
What is the SMILES notation for N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide?
The canonical SMILES for N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide is CC(=O)Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3ccccc43)cc2c1.
What is the InChIKey of N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide?
The InChIKey is MGBPLTCAPKOBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-13(29)26-16-6-7-19-14(8-16)9-20(27-19)24(31)28-12-15(11-25)23-18-5-3-2-4-17(18)22(30)10-21(23)28/h2-10,15,27,30H,11-12H2,1H3,(H,26,29).
What are the key properties of N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide?
N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide has a molecular weight of 433.90 g/mol, XLogP of 4.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide is sourced from PubChem (CID 10741465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).