7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid

C19H16ClNO3 — CID 57489760

IUPAC7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2cc(CNCc3ccc(Cl)cc3)ccc2cc1O
InChIInChI=1S/C19H16ClNO3/c20-16-5-2-12(3-6-16)10-21-11-13-1-4-14-9-18(22)17(19(23)24)8-15(14)7-13/h1-9,21-22H,10-11H2,(H,23,24)
InChIKeyQXSAJHGEFHWNSA-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.19
Rot. Bonds5

About 7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid

7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid (PubChem CID 57489760) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid
PubChem CID57489760
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2cc(CNCc3ccc(Cl)cc3)ccc2cc1O
InChIInChI=1S/C19H16ClNO3/c20-16-5-2-12(3-6-16)10-21-11-13-1-4-14-9-18(22)17(19(23)24)8-15(14)7-13/h1-9,21-22H,10-11H2,(H,23,24)
InChIKeyQXSAJHGEFHWNSA-UHFFFAOYSA-N
XLogP4.19
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(3-chloro-5-hydroxyanilino)methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 142938430
3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid
CID 23558379
4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid
CID 70359334
4-[[(4-chlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458865
3,7-dihydroxynaphthalene-2-carboxylic acid
CID 158168218
CID 59994174
CID 59994174
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2098297
3-[[(4-chlorophenyl)methylamino]methyl]phenol
CID 28738427
3-hydroxy-7-hydroxysulfanylnaphthalene-2-carboxylic acid
CID 142855010
CID 69256301
CID 69256301
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
[3-carboxy-6-[(4-propan-2-ylanilino)methyl]naphthalen-2-yl]oxidanium
CID 163901828

Frequently Asked Questions

What is the IUPAC name of 7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid (CID 57489760) is 7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc2cc(CNCc3ccc(Cl)cc3)ccc2cc1O.
What is the InChIKey of 7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is QXSAJHGEFHWNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c20-16-5-2-12(3-6-16)10-21-11-13-1-4-14-9-18(22)17(19(23)24)8-15(14)7-13/h1-9,21-22H,10-11H2,(H,23,24).
What are the key properties of 7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid?
7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 341.79 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 57489760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).