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

C31H27ClN2O — CID 21062999

IUPAC4-(4-chlorophenyl)-N-[6-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide
SMILESCN(CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1)c1ccccc1
InChIInChI=1S/C31H27ClN2O/c1-34(30-5-3-2-4-6-30)21-22-7-8-27-20-29(18-15-26(27)19-22)33-31(35)25-11-9-23(10-12-25)24-13-16-28(32)17-14-24/h2-6,9-20H,7-8,21H2,1H3,(H,33,35)
InChIKeyVIMHLPANVVNLHI-UHFFFAOYSA-N
MW479.02 g/mol
LogP7.73
Rot. Bonds6

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

4-(4-chlorophenyl)-N-[6-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide (PubChem CID 21062999) has the molecular formula C31H27ClN2O and a molecular weight of 479.02 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[6-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[6-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide
PubChem CID21062999
Molecular FormulaC31H27ClN2O
Molecular Weight479.02 g/mol
Exact Mass478.18
IUPAC Name4-(4-chlorophenyl)-N-[6-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide
SMILESCN(CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1)c1ccccc1
InChIInChI=1S/C31H27ClN2O/c1-34(30-5-3-2-4-6-30)21-22-7-8-27-20-29(18-15-26(27)19-22)33-31(35)25-11-9-23(10-12-25)24-13-16-28(32)17-14-24/h2-6,9-20H,7-8,21H2,1H3,(H,33,35)
InChIKeyVIMHLPANVVNLHI-UHFFFAOYSA-N
XLogP7.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.02
LogP ≤ 57.73
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-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[6-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide (CID 21062999) is 4-(4-chlorophenyl)-N-[6-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[6-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[6-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide is CN(CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[6-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide?
The InChIKey is VIMHLPANVVNLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN2O/c1-34(30-5-3-2-4-6-30)21-22-7-8-27-20-29(18-15-26(27)19-22)33-31(35)25-11-9-23(10-12-25)24-13-16-28(32)17-14-24/h2-6,9-20H,7-8,21H2,1H3,(H,33,35).
What are the key properties of 4-(4-chlorophenyl)-N-[6-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide?
4-(4-chlorophenyl)-N-[6-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide has a molecular weight of 479.02 g/mol, XLogP of 7.73, 6 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-[(N-methylanilino)methyl]-7,8-dihydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 21062999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).