N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide

C32H33ClN2O — CID 69215709

IUPACN-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide
SMILESCN(Cc1cccc2cc(CN3CCCCCC3)ccc12)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C32H33ClN2O/c1-34(32(36)27-12-10-25(11-13-27)26-14-16-30(33)17-15-26)23-29-8-6-7-28-21-24(9-18-31(28)29)22-35-19-4-2-3-5-20-35/h6-18,21H,2-5,19-20,22-23H2,1H3
InChIKeyLFHHHAVCIAQNEN-UHFFFAOYSA-N
MW497.08 g/mol
LogP7.81
Rot. Bonds6

About N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide

N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide (PubChem CID 69215709) has the molecular formula C32H33ClN2O and a molecular weight of 497.08 g/mol. Its IUPAC name is N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide
PubChem CID69215709
Molecular FormulaC32H33ClN2O
Molecular Weight497.08 g/mol
Exact Mass496.23
IUPAC NameN-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide
SMILESCN(Cc1cccc2cc(CN3CCCCCC3)ccc12)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C32H33ClN2O/c1-34(32(36)27-12-10-25(11-13-27)26-14-16-30(33)17-15-26)23-29-8-6-7-28-21-24(9-18-31(28)29)22-35-19-4-2-3-5-20-35/h6-18,21H,2-5,19-20,22-23H2,1H3
InChIKeyLFHHHAVCIAQNEN-UHFFFAOYSA-N
XLogP7.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.08
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 69216257
N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 69216345
4-(4-cyanophenyl)-N-[[6-(ethylaminomethyl)naphthalen-1-yl]methyl]-N-methylbenzamide
CID 91313221
N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 43908262
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 27807625
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide
CID 122152760
4-(azepan-1-ylmethyl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)benzamide
CID 135090165
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide?
The IUPAC name of N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide (CID 69215709) is N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide.
What is the SMILES notation for N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide?
The canonical SMILES for N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide is CN(Cc1cccc2cc(CN3CCCCCC3)ccc12)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide?
The InChIKey is LFHHHAVCIAQNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN2O/c1-34(32(36)27-12-10-25(11-13-27)26-14-16-30(33)17-15-26)23-29-8-6-7-28-21-24(9-18-31(28)29)22-35-19-4-2-3-5-20-35/h6-18,21H,2-5,19-20,22-23H2,1H3.
What are the key properties of N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide?
N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide has a molecular weight of 497.08 g/mol, XLogP of 7.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide is sourced from PubChem (CID 69215709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).