7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid

C18H14ClNO4 — CID 142938430

IUPAC7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2cc(CNc3cc(O)cc(Cl)c3)ccc2cc1O
InChIInChI=1S/C18H14ClNO4/c19-13-6-14(8-15(21)7-13)20-9-10-1-2-11-5-17(22)16(18(23)24)4-12(11)3-10/h1-8,20-22H,9H2,(H,23,24)
InChIKeyWZJPXAQNEJVARL-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.21
Rot. Bonds4

About 7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid

7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid (PubChem CID 142938430) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is 7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid
PubChem CID142938430
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2cc(CNc3cc(O)cc(Cl)c3)ccc2cc1O
InChIInChI=1S/C18H14ClNO4/c19-13-6-14(8-15(21)7-13)20-9-10-1-2-11-5-17(22)16(18(23)24)4-12(11)3-10/h1-8,20-22H,9H2,(H,23,24)
InChIKeyWZJPXAQNEJVARL-UHFFFAOYSA-N
XLogP4.21
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 57489760
3,7-dihydroxynaphthalene-2-carboxylic acid
CID 158168218
3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid
CID 23558379
[3-carboxy-6-[(4-propan-2-ylanilino)methyl]naphthalen-2-yl]oxidanium
CID 163901828
2-chloro-5-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoic acid
CID 107685555
4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid
CID 86292283
CID 59994174
CID 59994174
3-hydroxy-7-hydroxysulfanylnaphthalene-2-carboxylic acid
CID 142855010
CID 69256301
CID 69256301
7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 20667848
1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone
CID 139706215
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid (CID 142938430) is 7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc2cc(CNc3cc(O)cc(Cl)c3)ccc2cc1O.
What is the InChIKey of 7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is WZJPXAQNEJVARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c19-13-6-14(8-15(21)7-13)20-9-10-1-2-11-5-17(22)16(18(23)24)4-12(11)3-10/h1-8,20-22H,9H2,(H,23,24).
What are the key properties of 7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid?
7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 343.77 g/mol, XLogP of 4.21, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 142938430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).