benzamide;1,2,3,4-tetrahydroquinoline

C16H18N2O — CID 68819505

IUPACbenzamide;1,2,3,4-tetrahydroquinoline
SMILESNC(=O)c1ccccc1.c1ccc2c(c1)CCCN2
InChIInChI=1S/C9H11N.C7H7NO/c1-2-6-9-8(4-1)5-3-7-10-9;8-7(9)6-4-2-1-3-5-6/h1-2,4,6,10H,3,5,7H2;1-5H,(H2,8,9)
InChIKeyJWFVENKOKBOPBO-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.83
Rot. Bonds1

About benzamide;1,2,3,4-tetrahydroquinoline

benzamide;1,2,3,4-tetrahydroquinoline (PubChem CID 68819505) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is benzamide;1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Namebenzamide;1,2,3,4-tetrahydroquinoline
PubChem CID68819505
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Namebenzamide;1,2,3,4-tetrahydroquinoline
SMILESNC(=O)c1ccccc1.c1ccc2c(c1)CCCN2
InChIInChI=1S/C9H11N.C7H7NO/c1-2-6-9-8(4-1)5-3-7-10-9;8-7(9)6-4-2-1-3-5-6/h1-2,4,6,10H,3,5,7H2;1-5H,(H2,8,9)
InChIKeyJWFVENKOKBOPBO-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzamide;1,2,3,4-tetrahydroquinoline?
The IUPAC name of benzamide;1,2,3,4-tetrahydroquinoline (CID 68819505) is benzamide;1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for benzamide;1,2,3,4-tetrahydroquinoline?
The canonical SMILES for benzamide;1,2,3,4-tetrahydroquinoline is NC(=O)c1ccccc1.c1ccc2c(c1)CCCN2.
What is the InChIKey of benzamide;1,2,3,4-tetrahydroquinoline?
The InChIKey is JWFVENKOKBOPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C7H7NO/c1-2-6-9-8(4-1)5-3-7-10-9;8-7(9)6-4-2-1-3-5-6/h1-2,4,6,10H,3,5,7H2;1-5H,(H2,8,9).
What are the key properties of benzamide;1,2,3,4-tetrahydroquinoline?
benzamide;1,2,3,4-tetrahydroquinoline has a molecular weight of 254.33 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 68819505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).