4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid

C16H16N2O4 — CID 43823123

IUPAC4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid
SMILESCN(C)c1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C16H16N2O4/c1-18(2)12-6-3-10(4-7-12)15(20)17-11-5-8-13(16(21)22)14(19)9-11/h3-9,19H,1-2H3,(H,17,20)(H,21,22)
InChIKeyIZNAKIXXPYANGL-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.41
Rot. Bonds4

About 4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid

4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid (PubChem CID 43823123) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid
PubChem CID43823123
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid
SMILESCN(C)c1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C16H16N2O4/c1-18(2)12-6-3-10(4-7-12)15(20)17-11-5-8-13(16(21)22)14(19)9-11/h3-9,19H,1-2H3,(H,17,20)(H,21,22)
InChIKeyIZNAKIXXPYANGL-UHFFFAOYSA-N
XLogP2.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid
CID 28667790
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
4-benzamidosalicylic acid, calcium salt
CID 126959845
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-(dimethylamino)-N-(3-hydroxyphenyl)benzamide
CID 28739881
2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818768
N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide
CID 123507745
4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid
CID 108744182
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid (CID 43823123) is 4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid is CN(C)c1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid?
The InChIKey is IZNAKIXXPYANGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-18(2)12-6-3-10(4-7-12)15(20)17-11-5-8-13(16(21)22)14(19)9-11/h3-9,19H,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid?
4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid has a molecular weight of 300.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 43823123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).