sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate

C19H19ClNNaO4 — CID 23716993

IUPACsodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccc(CCCC(=O)[O-])cc1.[Na+]
InChIInChI=1S/C19H20ClNO4.Na/c1-25-17-10-9-15(20)11-16(17)19(24)21-12-14-7-5-13(6-8-14)3-2-4-18(22)23;/h5-11H,2-4,12H2,1H3,(H,21,24)(H,22,23);/q;+1/p-1
InChIKeyLPGOHGIWKHTGNV-UHFFFAOYSA-M
MW383.81 g/mol
LogP-0.64
Rot. Bonds8

About sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate

sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate (PubChem CID 23716993) has the molecular formula C19H19ClNNaO4 and a molecular weight of 383.81 g/mol. Its IUPAC name is sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate.

Molecular Properties

Compound Namesodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate
PubChem CID23716993
Molecular FormulaC19H19ClNNaO4
Molecular Weight383.81 g/mol
Exact Mass383.09
IUPAC Namesodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccc(CCCC(=O)[O-])cc1.[Na+]
InChIInChI=1S/C19H20ClNO4.Na/c1-25-17-10-9-15(20)11-16(17)19(24)21-12-14-7-5-13(6-8-14)3-2-4-18(22)23;/h5-11H,2-4,12H2,1H3,(H,21,24)(H,22,23);/q;+1/p-1
InChIKeyLPGOHGIWKHTGNV-UHFFFAOYSA-M
XLogP-0.64
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108540869
5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
CID 100529367
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453045

Frequently Asked Questions

What is the IUPAC name of sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate?
The IUPAC name of sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate (CID 23716993) is sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate.
What is the SMILES notation for sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate?
The canonical SMILES for sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate is COc1ccc(Cl)cc1C(=O)NCc1ccc(CCCC(=O)[O-])cc1.[Na+].
What is the InChIKey of sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate?
The InChIKey is LPGOHGIWKHTGNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H20ClNO4.Na/c1-25-17-10-9-15(20)11-16(17)19(24)21-12-14-7-5-13(6-8-14)3-2-4-18(22)23;/h5-11H,2-4,12H2,1H3,(H,21,24)(H,22,23);/q;+1/p-1.
What are the key properties of sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate?
sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate has a molecular weight of 383.81 g/mol, XLogP of -0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate is sourced from PubChem (CID 23716993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).