3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide

C18H19FN2O4 — CID 46486231

IUPAC3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(N)=O)cc(F)c2C)cc1OC
InChIInChI=1S/C18H19FN2O4/c1-4-25-15-6-5-11(9-16(15)24-3)18(23)21-14-8-12(17(20)22)7-13(19)10(14)2/h5-9H,4H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyBCNYJWATIXRQTR-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.89
Rot. Bonds6

About 3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide

3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide (PubChem CID 46486231) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide
PubChem CID46486231
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(N)=O)cc(F)c2C)cc1OC
InChIInChI=1S/C18H19FN2O4/c1-4-25-15-6-5-11(9-16(15)24-3)18(23)21-14-8-12(17(20)22)7-13(19)10(14)2/h5-9H,4H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyBCNYJWATIXRQTR-UHFFFAOYSA-N
XLogP2.89
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate
CID 100612781
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 87004486
3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 86992287
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
3-[4-(4-cyano-2-methoxyphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 55784723
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179401
4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 9394635

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide (CID 46486231) is 3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide is CCOc1ccc(C(=O)Nc2cc(C(N)=O)cc(F)c2C)cc1OC.
What is the InChIKey of 3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide?
The InChIKey is BCNYJWATIXRQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-4-25-15-6-5-11(9-16(15)24-3)18(23)21-14-8-12(17(20)22)7-13(19)10(14)2/h5-9H,4H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide?
3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide has a molecular weight of 346.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 46486231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).