4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid

C18H18ClNO5 — CID 67977754

IUPAC4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid
SMILESCc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1OC(C)C
InChIInChI=1S/C18H18ClNO5/c1-9(2)25-16-7-11(6-14(19)10(16)3)17(22)20-12-4-5-13(18(23)24)15(21)8-12/h4-9,21H,1-3H3,(H,20,22)(H,23,24)
InChIKeyOJIYSYKPHNJCDH-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.09
Rot. Bonds5

About 4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid

4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 67977754) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is 4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID67977754
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid
SMILESCc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1OC(C)C
InChIInChI=1S/C18H18ClNO5/c1-9(2)25-16-7-11(6-14(19)10(16)3)17(22)20-12-4-5-13(18(23)24)15(21)8-12/h4-9,21H,1-3H3,(H,20,22)(H,23,24)
InChIKeyOJIYSYKPHNJCDH-UHFFFAOYSA-N
XLogP4.09
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid
CID 51034535
4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 107095827
N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide
CID 67977848
3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide
CID 88538932
4-benzamidosalicylic acid, calcium salt
CID 126959845
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818768
4-[(5-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 82877635
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid (CID 67977754) is 4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid is Cc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1OC(C)C.
What is the InChIKey of 4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is OJIYSYKPHNJCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-9(2)25-16-7-11(6-14(19)10(16)3)17(22)20-12-4-5-13(18(23)24)15(21)8-12/h4-9,21H,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid?
4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 363.80 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 67977754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).