N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide

C18H16ClN3O3 — CID 18525466

IUPACN-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide
SMILESO=C(Cn1cnc2cc3c(cc21)OCCCO3)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O3/c19-12-2-4-13(5-3-12)21-18(23)10-22-11-20-14-8-16-17(9-15(14)22)25-7-1-6-24-16/h2-5,8-9,11H,1,6-7,10H2,(H,21,23)
InChIKeyQUGZQTMOUUVHLB-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.49
Rot. Bonds3

About N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide

N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide (PubChem CID 18525466) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide
PubChem CID18525466
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide
SMILESO=C(Cn1cnc2cc3c(cc21)OCCCO3)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O3/c19-12-2-4-13(5-3-12)21-18(23)10-22-11-20-14-8-16-17(9-15(14)22)25-7-1-6-24-16/h2-5,8-9,11H,1,6-7,10H2,(H,21,23)
InChIKeyQUGZQTMOUUVHLB-UHFFFAOYSA-N
XLogP3.49
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide
CID 18525451
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
CID 95060738
2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide
CID 53046869
2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide
CID 31788561
N-(4-chlorophenyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 9434741
N-(4-chlorophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 9434739
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 729287
N-(4-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39147973
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18147630
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 27065113
N-(3,4-dimethylphenyl)-2-(2-methyl-7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide
CID 18525475

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide (CID 18525466) is N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide is O=C(Cn1cnc2cc3c(cc21)OCCCO3)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide?
The InChIKey is QUGZQTMOUUVHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c19-12-2-4-13(5-3-12)21-18(23)10-22-11-20-14-8-16-17(9-15(14)22)25-7-1-6-24-16/h2-5,8-9,11H,1,6-7,10H2,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide?
N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide has a molecular weight of 357.80 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide is sourced from PubChem (CID 18525466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).