N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide

C19H21ClN2O4 — CID 39572991

IUPACN-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C19H21ClN2O4/c1-4-26-18-16(20)9-14(10-17(18)25-3)19(24)21-11-13-6-5-7-15(8-13)22-12(2)23/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQVCDMKZEAXEDID-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.64
Rot. Bonds7

About N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide

N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide (PubChem CID 39572991) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide
PubChem CID39572991
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C19H21ClN2O4/c1-4-26-18-16(20)9-14(10-17(18)25-3)19(24)21-11-13-6-5-7-15(8-13)22-12(2)23/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQVCDMKZEAXEDID-UHFFFAOYSA-N
XLogP3.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide
CID 46519975
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 55949411
N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 33094742
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
CID 37392157
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
CID 32637003
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 39573373
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide
CID 71995172
3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55800500

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide (CID 39572991) is N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)NCc2cccc(NC(C)=O)c2)cc1OC.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide?
The InChIKey is QVCDMKZEAXEDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-4-26-18-16(20)9-14(10-17(18)25-3)19(24)21-11-13-6-5-7-15(8-13)22-12(2)23/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide?
N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide has a molecular weight of 376.84 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 39572991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).