N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C18H17Cl2NO — CID 25192247

IUPACN-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H17Cl2NO/c1-11(22)21-18-9-7-13(14-4-2-3-5-15(14)18)12-6-8-16(19)17(20)10-12/h2-6,8,10,13,18H,7,9H2,1H3,(H,21,22)/t13-,18+/m0/s1
InChIKeyYIQKGDBXOASLSF-SCLBCKFNSA-N
MW334.25 g/mol
LogP5.10
Rot. Bonds2

About N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 25192247) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID25192247
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC NameN-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H17Cl2NO/c1-11(22)21-18-9-7-13(14-4-2-3-5-15(14)18)12-6-8-16(19)17(20)10-12/h2-6,8,10,13,18H,7,9H2,1H3,(H,21,22)/t13-,18+/m0/s1
InChIKeyYIQKGDBXOASLSF-SCLBCKFNSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.25
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 25192247) is N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is YIQKGDBXOASLSF-SCLBCKFNSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c1-11(22)21-18-9-7-13(14-4-2-3-5-15(14)18)12-6-8-16(19)17(20)10-12/h2-6,8,10,13,18H,7,9H2,1H3,(H,21,22)/t13-,18+/m0/s1.
What are the key properties of N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 334.25 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 25192247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).