N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

C19H16Cl2N2O2 — CID 4847739

IUPACN-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESNc1c(Cl)cc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c20-15-7-13(8-16(21)19(15)22)23-18(24)6-12-9-25-17-5-11-3-1-2-10(11)4-14(12)17/h4-5,7-9H,1-3,6,22H2,(H,23,24)
InChIKeyCBDDYDNKFAWLGR-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.99
Rot. Bonds3

About N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 4847739) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
PubChem CID4847739
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESNc1c(Cl)cc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c20-15-7-13(8-16(21)19(15)22)23-18(24)6-12-9-25-17-5-11-3-1-2-10(11)4-14(12)17/h4-5,7-9H,1-3,6,22H2,(H,23,24)
InChIKeyCBDDYDNKFAWLGR-UHFFFAOYSA-N
XLogP4.99
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 26692799
N-(1,3-benzodioxol-5-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 2641720
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 26213313
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 22830887
2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide
CID 35931058
4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide
CID 55802388
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 26269633
N-tert-butyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 9451645
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 46524962
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 26711149
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-hydroxypropyl)acetamide
CID 78798042
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51154057

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 4847739) is N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is Nc1c(Cl)cc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1Cl.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The InChIKey is CBDDYDNKFAWLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c20-15-7-13(8-16(21)19(15)22)23-18(24)6-12-9-25-17-5-11-3-1-2-10(11)4-14(12)17/h4-5,7-9H,1-3,6,22H2,(H,23,24).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 375.26 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 4847739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).