N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide

C18H20ClNO3 — CID 133179095

IUPACN-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
SMILESCOCc1cc(C(=O)NC(C)c2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C18H20ClNO3/c1-12(13-4-7-16(19)8-5-13)20-18(21)14-6-9-17(23-3)15(10-14)11-22-2/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyCPXIKIFDQDFUPC-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.99
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide

N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide (PubChem CID 133179095) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
PubChem CID133179095
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
SMILESCOCc1cc(C(=O)NC(C)c2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C18H20ClNO3/c1-12(13-4-7-16(19)8-5-13)20-18(21)14-6-9-17(23-3)15(10-14)11-22-2/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyCPXIKIFDQDFUPC-UHFFFAOYSA-N
XLogP3.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-[(4-chlorophenyl)sulfanylmethyl]-4-methoxybenzamide
CID 133179087
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide
CID 133178380
N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide
CID 133230936
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
CID 133179091
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 133178007
3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
CID 133210299
4-methoxy-3-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)benzamide
CID 133150012

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide (CID 133179095) is N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide is COCc1cc(C(=O)NC(C)c2ccc(Cl)cc2)ccc1OC.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide?
The InChIKey is CPXIKIFDQDFUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12(13-4-7-16(19)8-5-13)20-18(21)14-6-9-17(23-3)15(10-14)11-22-2/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide?
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide has a molecular weight of 333.82 g/mol, XLogP of 3.99, 6 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-(methoxymethyl)benzamide is sourced from PubChem (CID 133179095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).