N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide

C27H24ClNO3 — CID 133178380

IUPACN-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(Cl)cc2)cc1COc1ccc2ccccc2c1
InChIInChI=1S/C27H24ClNO3/c1-18(19-7-11-24(28)12-8-19)29-27(30)22-10-14-26(31-2)23(15-22)17-32-25-13-9-20-5-3-4-6-21(20)16-25/h3-16,18H,17H2,1-2H3,(H,29,30)
InChIKeyWDVPOAWNOPASME-UHFFFAOYSA-N
MW445.95 g/mol
LogP6.57
Rot. Bonds7

About N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide

N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide (PubChem CID 133178380) has the molecular formula C27H24ClNO3 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide
PubChem CID133178380
Molecular FormulaC27H24ClNO3
Molecular Weight445.95 g/mol
Exact Mass445.14
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(Cl)cc2)cc1COc1ccc2ccccc2c1
InChIInChI=1S/C27H24ClNO3/c1-18(19-7-11-24(28)12-8-19)29-27(30)22-10-14-26(31-2)23(15-22)17-32-25-13-9-20-5-3-4-6-21(20)16-25/h3-16,18H,17H2,1-2H3,(H,29,30)
InChIKeyWDVPOAWNOPASME-UHFFFAOYSA-N
XLogP6.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
CID 133179095
4-methoxy-3-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)benzamide
CID 133150012
N-[1-(4-chlorophenyl)ethyl]-3-[(4-chlorophenyl)sulfanylmethyl]-4-methoxybenzamide
CID 133179087
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
CID 7919546
4-[(2-chlorophenyl)methoxy]-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 132763399
3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 133178007
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
CID 19467120
N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide
CID 133230936

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide (CID 133178380) is N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide is COc1ccc(C(=O)NC(C)c2ccc(Cl)cc2)cc1COc1ccc2ccccc2c1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide?
The InChIKey is WDVPOAWNOPASME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClNO3/c1-18(19-7-11-24(28)12-8-19)29-27(30)22-10-14-26(31-2)23(15-22)17-32-25-13-9-20-5-3-4-6-21(20)16-25/h3-16,18H,17H2,1-2H3,(H,29,30).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide?
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide has a molecular weight of 445.95 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide is sourced from PubChem (CID 133178380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).