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

C19H20Cl2N2O — CID 87963781

IUPACN-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide
SMILESCN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CNC=O)cc21
InChIInChI=1S/C19H20Cl2N2O/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)/t14-,19-/m0/s1
InChIKeyPHNSUEISGJHFKM-LIRRHRJNSA-N
MW363.29 g/mol
LogP4.43
Rot. Bonds5

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

N-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide (PubChem CID 87963781) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is N-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide
PubChem CID87963781
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC NameN-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide
SMILESCN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CNC=O)cc21
InChIInChI=1S/C19H20Cl2N2O/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)/t14-,19-/m0/s1
InChIKeyPHNSUEISGJHFKM-LIRRHRJNSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.43
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-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide?
The IUPAC name of N-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide (CID 87963781) is N-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide.
What is the SMILES notation for N-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide?
The canonical SMILES for N-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide is CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CNC=O)cc21.
What is the InChIKey of N-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide?
The InChIKey is PHNSUEISGJHFKM-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/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)/t14-,19-/m0/s1.
What are the key properties of N-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide?
N-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide has a molecular weight of 363.29 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide is sourced from PubChem (CID 87963781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).