sodium (4-chloro-2-methoxybenzoyl)azanide

C8H7ClNNaO2 — CID 143390401

IUPACsodium (4-chloro-2-methoxybenzoyl)azanide
SMILESCOc1cc(Cl)ccc1C([NH-])=O.[Na+]
InChIInChI=1S/C8H8ClNO2.Na/c1-12-7-4-5(9)2-3-6(7)8(10)11;/h2-4H,1H3,(H2,10,11);/q;+1/p-1
InChIKeyAKKCPZWNURMNNR-UHFFFAOYSA-M
MW207.59 g/mol
LogP-0.46
Rot. Bonds2

About sodium (4-chloro-2-methoxybenzoyl)azanide

sodium (4-chloro-2-methoxybenzoyl)azanide (PubChem CID 143390401) has the molecular formula C8H7ClNNaO2 and a molecular weight of 207.59 g/mol. Its IUPAC name is sodium (4-chloro-2-methoxybenzoyl)azanide.

Molecular Properties

Compound Namesodium (4-chloro-2-methoxybenzoyl)azanide
PubChem CID143390401
Molecular FormulaC8H7ClNNaO2
Molecular Weight207.59 g/mol
Exact Mass207.01
IUPAC Namesodium (4-chloro-2-methoxybenzoyl)azanide
SMILESCOc1cc(Cl)ccc1C([NH-])=O.[Na+]
InChIInChI=1S/C8H8ClNO2.Na/c1-12-7-4-5(9)2-3-6(7)8(10)11;/h2-4H,1H3,(H2,10,11);/q;+1/p-1
InChIKeyAKKCPZWNURMNNR-UHFFFAOYSA-M
XLogP-0.46
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.59
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-methoxybenzamide
CID 19741766
1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-one
CID 115780949
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
sodium (2,4-dichlorobenzoyl)azanide
CID 143659946
(4-chloro-2-methoxyphenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348850
methyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
CID 70925530
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301430
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
5-chloro-2-methoxybenzoate
CID 6933314
(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanone
CID 114975303

Frequently Asked Questions

What is the IUPAC name of sodium (4-chloro-2-methoxybenzoyl)azanide?
The IUPAC name of sodium (4-chloro-2-methoxybenzoyl)azanide (CID 143390401) is sodium (4-chloro-2-methoxybenzoyl)azanide.
What is the SMILES notation for sodium (4-chloro-2-methoxybenzoyl)azanide?
The canonical SMILES for sodium (4-chloro-2-methoxybenzoyl)azanide is COc1cc(Cl)ccc1C([NH-])=O.[Na+].
What is the InChIKey of sodium (4-chloro-2-methoxybenzoyl)azanide?
The InChIKey is AKKCPZWNURMNNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8ClNO2.Na/c1-12-7-4-5(9)2-3-6(7)8(10)11;/h2-4H,1H3,(H2,10,11);/q;+1/p-1.
What are the key properties of sodium (4-chloro-2-methoxybenzoyl)azanide?
sodium (4-chloro-2-methoxybenzoyl)azanide has a molecular weight of 207.59 g/mol, XLogP of -0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4-chloro-2-methoxybenzoyl)azanide is sourced from PubChem (CID 143390401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).