N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide

C18H18ClNO — CID 97455745

IUPACN-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c2CCCC3)c(Cl)c1
InChIInChI=1S/C18H18ClNO/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8-11H,2-3,5,7H2,1H3,(H,20,21)
InChIKeyPIOHPKDRWHCJPX-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.78
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide

N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 97455745) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID97455745
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC NameN-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c2CCCC3)c(Cl)c1
InChIInChI=1S/C18H18ClNO/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8-11H,2-3,5,7H2,1H3,(H,20,21)
InChIKeyPIOHPKDRWHCJPX-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2-chloro-4-methylphenyl)-2-methylbenzamide
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N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
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N-(2-chloro-4-methylphenyl)-2,3-difluorobenzamide
CID 62650999
N-(2-chloro-4-methylphenyl)-2-iodobenzamide
CID 8886012
N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
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CID 98001091
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CID 82782191

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 97455745) is N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide is Cc1ccc(NC(=O)c2cccc3c2CCCC3)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is PIOHPKDRWHCJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8-11H,2-3,5,7H2,1H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 97455745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).