3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide

C18H19ClN2O4 — CID 17470046

IUPAC3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)NC)c2)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-4-25-16-14(19)9-12(10-15(16)24-3)18(23)21-13-7-5-6-11(8-13)17(22)20-2/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyOIXCPWUYHPFHJX-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.36
Rot. Bonds6

About 3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide

3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide (PubChem CID 17470046) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
PubChem CID17470046
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)NC)c2)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-4-25-16-14(19)9-12(10-15(16)24-3)18(23)21-13-7-5-6-11(8-13)17(22)20-2/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyOIXCPWUYHPFHJX-UHFFFAOYSA-N
XLogP3.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7309263
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 37007263
3,5-dichloro-N-[3-(ethylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51217682
N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 39572991
3-chloro-4-ethoxy-5-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034999
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide (CID 17470046) is 3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide is CCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)NC)c2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is OIXCPWUYHPFHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-4-25-16-14(19)9-12(10-15(16)24-3)18(23)21-13-7-5-6-11(8-13)17(22)20-2/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide?
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 362.81 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17470046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).