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

C33H31ClN2O — CID 21062998

IUPAC4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide
SMILESCN(CCc1ccccc1)CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1
InChIInChI=1S/C33H31ClN2O/c1-36(20-19-24-5-3-2-4-6-24)23-25-7-8-30-22-32(18-15-29(30)21-25)35-33(37)28-11-9-26(10-12-28)27-13-16-31(34)17-14-27/h2-6,9-18,21-22H,7-8,19-20,23H2,1H3,(H,35,37)
InChIKeyJTXPQHDLXYZOSC-UHFFFAOYSA-N
MW507.08 g/mol
LogP7.76
Rot. Bonds8

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

4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide (PubChem CID 21062998) has the molecular formula C33H31ClN2O and a molecular weight of 507.08 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide
PubChem CID21062998
Molecular FormulaC33H31ClN2O
Molecular Weight507.08 g/mol
Exact Mass506.21
IUPAC Name4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide
SMILESCN(CCc1ccccc1)CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1
InChIInChI=1S/C33H31ClN2O/c1-36(20-19-24-5-3-2-4-6-24)23-25-7-8-30-22-32(18-15-29(30)21-25)35-33(37)28-11-9-26(10-12-28)27-13-16-31(34)17-14-27/h2-6,9-18,21-22H,7-8,19-20,23H2,1H3,(H,35,37)
InChIKeyJTXPQHDLXYZOSC-UHFFFAOYSA-N
XLogP7.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.08
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-N-(2-naphthyl)-benzamide
CID 307425
T-226296
CID 9865843
2,4-dichloro-N-(naphthalen-2-yl)benzamide
CID 292795
1-(4-Chlorophenyl)-3-(3,4-dimethylanilino)-1-propanone
CID 888422
1-(2-Naphthoyl)-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 154699440
4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]benzamide
CID 9910346
N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
CID 11384664
3-[(4-chlorobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664124
3-[[4-[5-Chloro-2-[1-[4-(4-chlorophenyl)anilino]ethyl]phenyl]benzoyl]amino]propanoic acid
CID 71059966
N-[2-(3-chlorobenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]benzamide
CID 145963786
3-chloro-N-[2-(3-methylbenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]benzamide
CID 145964991
N-[2-(3-chlorobenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]-3-methylbenzamide
CID 145971330

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide (CID 21062998) is 4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide is CN(CCc1ccccc1)CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide?
The InChIKey is JTXPQHDLXYZOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClN2O/c1-36(20-19-24-5-3-2-4-6-24)23-25-7-8-30-22-32(18-15-29(30)21-25)35-33(37)28-11-9-26(10-12-28)27-13-16-31(34)17-14-27/h2-6,9-18,21-22H,7-8,19-20,23H2,1H3,(H,35,37).
What are the key properties of 4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide?
4-(4-chlorophenyl)-N-[6-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide has a molecular weight of 507.08 g/mol, XLogP of 7.76, 8 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-[[methyl(2-phenylethyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 21062998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).