2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide

C20H20Cl2N2O3 — CID 87480437

IUPAC2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
SMILESNC(=O)COc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(NC=O)CC2
InChIInChI=1S/C20H20Cl2N2O3/c21-17-5-1-12(8-18(17)22)7-16-15-9-14(27-10-20(23)26)4-2-13(15)3-6-19(16)24-11-25/h1-2,4-5,8-9,11,16,19H,3,6-7,10H2,(H2,23,26)(H,24,25)
InChIKeyKLBIFIRUSXUDHX-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.24
Rot. Bonds7

About 2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide

2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide (PubChem CID 87480437) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is 2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
PubChem CID87480437
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC Name2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
SMILESNC(=O)COc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(NC=O)CC2
InChIInChI=1S/C20H20Cl2N2O3/c21-17-5-1-12(8-18(17)22)7-16-15-9-14(27-10-20(23)26)4-2-13(15)3-6-19(16)24-11-25/h1-2,4-5,8-9,11,16,19H,3,6-7,10H2,(H2,23,26)(H,24,25)
InChIKeyKLBIFIRUSXUDHX-UHFFFAOYSA-N
XLogP3.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride
CID 57467200
1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57467189
ethyl N-[1-[(3,4-dichlorophenyl)methyl]-7-[2-(propylsulfonylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 59547759
ethyl N-[1-[(3,4-dichlorophenyl)methyl]-7-[2-(3-fluoropropylsulfonylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 59547772
1-[(3,4-dichlorophenyl)methyl]-7-(3-propan-2-ylsulfonylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158713128
N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride
CID 57471180
1-[(3,4-dichlorophenyl)methyl]-7-(3-pentylsulfonylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158894025
ethyl N-[1-[(3,4-dichlorophenyl)methyl]-7-[2-(pyridin-3-ylsulfonylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 59547734
ethyl N-[1-[(3,4-dichlorophenyl)methyl]-7-[3-(1-methylpyrazol-4-yl)sulfonylpropoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 148703778
N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 57467247
3-[2-[[8-[(3,4-dichlorophenyl)methyl]-7-(ethoxycarbonylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl-sulfinoamino]pyridine
CID 57471173
1-[(3,4-dichlorophenyl)methyl]-7-[3-(2-ethoxyethylsulfonyl)propoxy]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 158126424

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide?
The IUPAC name of 2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide (CID 87480437) is 2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide.
What is the SMILES notation for 2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide?
The canonical SMILES for 2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide is NC(=O)COc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(NC=O)CC2.
What is the InChIKey of 2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide?
The InChIKey is KLBIFIRUSXUDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c21-17-5-1-12(8-18(17)22)7-16-15-9-14(27-10-20(23)26)4-2-13(15)3-6-19(16)24-11-25/h1-2,4-5,8-9,11,16,19H,3,6-7,10H2,(H2,23,26)(H,24,25).
What are the key properties of 2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide?
2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide has a molecular weight of 407.30 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide is sourced from PubChem (CID 87480437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).