4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid

C20H21ClFNO5 — CID 51034761

IUPAC4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid
SMILESCCC(CC)Oc1cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc(Cl)c1OC
InChIInChI=1S/C20H21ClFNO5/c1-4-13(5-2)28-17-9-11(8-15(21)18(17)27-3)19(24)23-12-6-7-14(20(25)26)16(22)10-12/h6-10,13H,4-5H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyIQMDVIXPFGJYDI-UHFFFAOYSA-N
MW409.84 g/mol
LogP5.01
Rot. Bonds8

About 4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid

4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid (PubChem CID 51034761) has the molecular formula C20H21ClFNO5 and a molecular weight of 409.84 g/mol. Its IUPAC name is 4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid
PubChem CID51034761
Molecular FormulaC20H21ClFNO5
Molecular Weight409.84 g/mol
Exact Mass409.11
IUPAC Name4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid
SMILESCCC(CC)Oc1cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc(Cl)c1OC
InChIInChI=1S/C20H21ClFNO5/c1-4-13(5-2)28-17-9-11(8-15(21)18(17)27-3)19(24)23-12-6-7-14(20(25)26)16(22)10-12/h6-10,13H,4-5H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyIQMDVIXPFGJYDI-UHFFFAOYSA-N
XLogP5.01
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.84
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid with MolForge

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Related Compounds

N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide
CID 67977848
N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide
CID 161444141
N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide
CID 46555581
4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid
CID 67977734
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
2-fluoro-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 103791449
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid
CID 67977754
ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 28631326
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid (CID 51034761) is 4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid is CCC(CC)Oc1cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc(Cl)c1OC.
What is the InChIKey of 4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid?
The InChIKey is IQMDVIXPFGJYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO5/c1-4-13(5-2)28-17-9-11(8-15(21)18(17)27-3)19(24)23-12-6-7-14(20(25)26)16(22)10-12/h6-10,13H,4-5H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid?
4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid has a molecular weight of 409.84 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 51034761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).