N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C19H20ClNO — CID 77395507

IUPACN-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)NC1CCC(c2ccc(C)c(Cl)c2)c2ccccc21
InChIInChI=1S/C19H20ClNO/c1-12-7-8-14(11-18(12)20)15-9-10-19(21-13(2)22)17-6-4-3-5-16(15)17/h3-8,11,15,19H,9-10H2,1-2H3,(H,21,22)
InChIKeyAEJWGBWWZKERIU-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.75
Rot. Bonds2

About N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 77395507) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID77395507
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC NameN-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)NC1CCC(c2ccc(C)c(Cl)c2)c2ccccc21
InChIInChI=1S/C19H20ClNO/c1-12-7-8-14(11-18(12)20)15-9-10-19(21-13(2)22)17-6-4-3-5-16(15)17/h3-8,11,15,19H,9-10H2,1-2H3,(H,21,22)
InChIKeyAEJWGBWWZKERIU-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 77395507) is N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CC(=O)NC1CCC(c2ccc(C)c(Cl)c2)c2ccccc21.
What is the InChIKey of N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is AEJWGBWWZKERIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-12-7-8-14(11-18(12)20)15-9-10-19(21-13(2)22)17-6-4-3-5-16(15)17/h3-8,11,15,19H,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 313.83 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 77395507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).