N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide

C17H18ClNO3 — CID 51158727

IUPACN-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCc2cccc(Cl)c2)ccc1OC
InChIInChI=1S/C17H18ClNO3/c1-3-22-16-10-13(7-8-15(16)21-2)17(20)19-11-12-5-4-6-14(18)9-12/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyKBFGTIFUKZANQL-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.68
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide

N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide (PubChem CID 51158727) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
PubChem CID51158727
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCc2cccc(Cl)c2)ccc1OC
InChIInChI=1S/C17H18ClNO3/c1-3-22-16-10-13(7-8-15(16)21-2)17(20)19-11-12-5-4-6-14(18)9-12/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyKBFGTIFUKZANQL-UHFFFAOYSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
N-[(3-chlorophenyl)methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 9402079
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
3-ethoxy-4-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39508576
2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367883
N-[(E)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126317605

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide (CID 51158727) is N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)NCc2cccc(Cl)c2)ccc1OC.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is KBFGTIFUKZANQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-3-22-16-10-13(7-8-15(16)21-2)17(20)19-11-12-5-4-6-14(18)9-12/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide?
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 319.79 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 51158727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).