N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride

C19H21Cl3N2O — CID 87963782

IUPACN-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride
SMILESCNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(CNC=O)cc21.Cl
InChIInChI=1S/C19H20Cl2N2O.ClH/c1-22-19-7-5-14(13-3-6-17(20)18(21)9-13)15-4-2-12(8-16(15)19)10-23-11-24;/h2-4,6,8-9,11,14,19,22H,5,7,10H2,1H3,(H,23,24);1H
InChIKeyFNAIUWSDKGNUJA-UHFFFAOYSA-N
MW399.75 g/mol
LogP4.85
Rot. Bonds5

About N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride

N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride (PubChem CID 87963782) has the molecular formula C19H21Cl3N2O and a molecular weight of 399.75 g/mol. Its IUPAC name is N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride
PubChem CID87963782
Molecular FormulaC19H21Cl3N2O
Molecular Weight399.75 g/mol
Exact Mass398.07
IUPAC NameN-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride
SMILESCNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(CNC=O)cc21.Cl
InChIInChI=1S/C19H20Cl2N2O.ClH/c1-22-19-7-5-14(13-3-6-17(20)18(21)9-13)15-4-2-12(8-16(15)19)10-23-11-24;/h2-4,6,8-9,11,14,19,22H,5,7,10H2,1H3,(H,23,24);1H
InChIKeyFNAIUWSDKGNUJA-UHFFFAOYSA-N
XLogP4.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.75
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride?
The IUPAC name of N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride (CID 87963782) is N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride.
What is the SMILES notation for N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride?
The canonical SMILES for N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride is CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(CNC=O)cc21.Cl.
What is the InChIKey of N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride?
The InChIKey is FNAIUWSDKGNUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O.ClH/c1-22-19-7-5-14(13-3-6-17(20)18(21)9-13)15-4-2-12(8-16(15)19)10-23-11-24;/h2-4,6,8-9,11,14,19,22H,5,7,10H2,1H3,(H,23,24);1H.
What are the key properties of N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride?
N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride has a molecular weight of 399.75 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride is sourced from PubChem (CID 87963782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).