3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide

C12H16ClNO3 — CID 4019804

IUPAC3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
SMILESCCNC(=O)c1cc(Cl)c(OCC)c(OC)c1
InChIInChI=1S/C12H16ClNO3/c1-4-14-12(15)8-6-9(13)11(17-5-2)10(7-8)16-3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeySMQXRDDCPUUGMY-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.50
Rot. Bonds5

About 3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide

3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide (PubChem CID 4019804) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
PubChem CID4019804
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
SMILESCCNC(=O)c1cc(Cl)c(OCC)c(OC)c1
InChIInChI=1S/C12H16ClNO3/c1-4-14-12(15)8-6-9(13)11(17-5-2)10(7-8)16-3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeySMQXRDDCPUUGMY-UHFFFAOYSA-N
XLogP2.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
CID 71848078
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 26457001
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
CID 37392157
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119521982
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253748
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
CID 55662367
3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119445563
N-ethyl-3,4-dimethoxy-5-methylbenzamide
CID 70790731

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide (CID 4019804) is 3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide is CCNC(=O)c1cc(Cl)c(OCC)c(OC)c1.
What is the InChIKey of 3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide?
The InChIKey is SMQXRDDCPUUGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-4-14-12(15)8-6-9(13)11(17-5-2)10(7-8)16-3/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide?
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide has a molecular weight of 257.72 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide is sourced from PubChem (CID 4019804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).