4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid

C22H22ClNO6 — CID 51034535

IUPAC4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1cc(Cl)c(OC2CCC2)c(OC2CCC2)c1
InChIInChI=1S/C22H22ClNO6/c23-17-9-12(21(26)24-13-7-8-16(22(27)28)18(25)11-13)10-19(29-14-3-1-4-14)20(17)30-15-5-2-6-15/h7-11,14-15,25H,1-6H2,(H,24,26)(H,27,28)
InChIKeyOAMJSCGXYMTLRF-UHFFFAOYSA-N
MW431.87 g/mol
LogP4.86
Rot. Bonds7

About 4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid

4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid (PubChem CID 51034535) has the molecular formula C22H22ClNO6 and a molecular weight of 431.87 g/mol. Its IUPAC name is 4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid
PubChem CID51034535
Molecular FormulaC22H22ClNO6
Molecular Weight431.87 g/mol
Exact Mass431.11
IUPAC Name4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1cc(Cl)c(OC2CCC2)c(OC2CCC2)c1
InChIInChI=1S/C22H22ClNO6/c23-17-9-12(21(26)24-13-7-8-16(22(27)28)18(25)11-13)10-19(29-14-3-1-4-14)20(17)30-15-5-2-6-15/h7-11,14-15,25H,1-6H2,(H,24,26)(H,27,28)
InChIKeyOAMJSCGXYMTLRF-UHFFFAOYSA-N
XLogP4.86
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.87
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4,5-dicyclopentyloxybenzoic acid;methyl 4-aminobenzoate;methyl 4-[(3-chloro-4,5-dicyclopentyloxybenzoyl)amino]benzoate
CID 159957850
4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid
CID 67977754
N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide
CID 67977860
N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide
CID 161170611
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid
CID 67977734
2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
CID 60574786
4-benzamidosalicylic acid, calcium salt
CID 126959845
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid
CID 4898151
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid (CID 51034535) is 4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)c1cc(Cl)c(OC2CCC2)c(OC2CCC2)c1.
What is the InChIKey of 4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid?
The InChIKey is OAMJSCGXYMTLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO6/c23-17-9-12(21(26)24-13-7-8-16(22(27)28)18(25)11-13)10-19(29-14-3-1-4-14)20(17)30-15-5-2-6-15/h7-11,14-15,25H,1-6H2,(H,24,26)(H,27,28).
What are the key properties of 4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid?
4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid has a molecular weight of 431.87 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 51034535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).