N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide

C17H13Cl2NO — CID 118671103

IUPACN-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide
SMILESO=CNC1=CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H13Cl2NO/c18-15-7-5-11(9-16(15)19)12-6-8-17(20-10-21)14-4-2-1-3-13(12)14/h1-5,7-10,12H,6H2,(H,20,21)/t12-/m0/s1
InChIKeyLVIYOMCVSRTUGJ-LBPRGKRZSA-N
MW318.20 g/mol
LogP4.62
Rot. Bonds3

About N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide

N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide (PubChem CID 118671103) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide.

Molecular Properties

Compound NameN-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide
PubChem CID118671103
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC NameN-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide
SMILESO=CNC1=CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H13Cl2NO/c18-15-7-5-11(9-16(15)19)12-6-8-17(20-10-21)14-4-2-1-3-13(12)14/h1-5,7-10,12H,6H2,(H,20,21)/t12-/m0/s1
InChIKeyLVIYOMCVSRTUGJ-LBPRGKRZSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide?
The IUPAC name of N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide (CID 118671103) is N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide.
What is the SMILES notation for N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide?
The canonical SMILES for N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide is O=CNC1=CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide?
The InChIKey is LVIYOMCVSRTUGJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c18-15-7-5-11(9-16(15)19)12-6-8-17(20-10-21)14-4-2-1-3-13(12)14/h1-5,7-10,12H,6H2,(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide?
N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide has a molecular weight of 318.20 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide is sourced from PubChem (CID 118671103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).