4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide

C26H25ClN2O — CID 22251624

IUPAC4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide
SMILESCN(C)CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1
InChIInChI=1S/C26H25ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-16H,3-4,17H2,1-2H3,(H,28,30)
InChIKeyQSERVTYJHOTWQD-UHFFFAOYSA-N
MW416.95 g/mol
LogP6.15
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide

4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide (PubChem CID 22251624) has the molecular formula C26H25ClN2O and a molecular weight of 416.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide
PubChem CID22251624
Molecular FormulaC26H25ClN2O
Molecular Weight416.95 g/mol
Exact Mass416.17
IUPAC Name4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide
SMILESCN(C)CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1
InChIInChI=1S/C26H25ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-16H,3-4,17H2,1-2H3,(H,28,30)
InChIKeyQSERVTYJHOTWQD-UHFFFAOYSA-N
XLogP6.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.95
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide (CID 22251624) is 4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide is CN(C)CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide?
The InChIKey is QSERVTYJHOTWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-16H,3-4,17H2,1-2H3,(H,28,30).
What are the key properties of 4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide?
4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide has a molecular weight of 416.95 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 22251624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).