sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate

C19H15ClNNaO4 — CID 23668732

IUPACsodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate
SMILESCOc1cc(OC)c(NC(=O)c2cc3ccccc3cc2[O-])cc1Cl.[Na+]
InChIInChI=1S/C19H16ClNO4.Na/c1-24-17-10-18(25-2)15(9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22;/h3-10,22H,1-2H3,(H,21,23);/q;+1/p-1
InChIKeyBSWGMVDYIKKXDX-UHFFFAOYSA-M
MW379.78 g/mol
LogP0.84
Rot. Bonds4

About sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate

sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate (PubChem CID 23668732) has the molecular formula C19H15ClNNaO4 and a molecular weight of 379.78 g/mol. Its IUPAC name is sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate.

Molecular Properties

Compound Namesodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate
PubChem CID23668732
Molecular FormulaC19H15ClNNaO4
Molecular Weight379.78 g/mol
Exact Mass379.06
IUPAC Namesodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate
SMILESCOc1cc(OC)c(NC(=O)c2cc3ccccc3cc2[O-])cc1Cl.[Na+]
InChIInChI=1S/C19H16ClNO4.Na/c1-24-17-10-18(25-2)15(9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22;/h3-10,22H,1-2H3,(H,21,23);/q;+1/p-1
InChIKeyBSWGMVDYIKKXDX-UHFFFAOYSA-M
XLogP0.84
TPSA70.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.78
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(5-chloro-2,4-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
CID 26210631
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 66464599
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403
CID 90477654
CID 90477654
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 1249675
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17422602

Frequently Asked Questions

What is the IUPAC name of sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate?
The IUPAC name of sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate (CID 23668732) is sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate.
What is the SMILES notation for sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate?
The canonical SMILES for sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate is COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2[O-])cc1Cl.[Na+].
What is the InChIKey of sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate?
The InChIKey is BSWGMVDYIKKXDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16ClNO4.Na/c1-24-17-10-18(25-2)15(9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22;/h3-10,22H,1-2H3,(H,21,23);/q;+1/p-1.
What are the key properties of sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate?
sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate has a molecular weight of 379.78 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate is sourced from PubChem (CID 23668732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).