2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid

C19H19ClN2O4 — CID 3054599

IUPAC2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid
SMILESCc1cccc(C)c1N(CC(=O)NCC(=O)O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O4/c1-12-4-3-5-13(2)18(12)22(11-16(23)21-10-17(24)25)19(26)14-6-8-15(20)9-7-14/h3-9H,10-11H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyMUOLSHUSHOEPOP-UHFFFAOYSA-N
MW374.82 g/mol
LogP2.80
Rot. Bonds6

About 2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid

2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid (PubChem CID 3054599) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid
PubChem CID3054599
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid
SMILESCc1cccc(C)c1N(CC(=O)NCC(=O)O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O4/c1-12-4-3-5-13(2)18(12)22(11-16(23)21-10-17(24)25)19(26)14-6-8-15(20)9-7-14/h3-9H,10-11H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyMUOLSHUSHOEPOP-UHFFFAOYSA-N
XLogP2.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid (CID 3054599) is 2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid is Cc1cccc(C)c1N(CC(=O)NCC(=O)O)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid?
The InChIKey is MUOLSHUSHOEPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-12-4-3-5-13(2)18(12)22(11-16(23)21-10-17(24)25)19(26)14-6-8-15(20)9-7-14/h3-9H,10-11H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid?
2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid has a molecular weight of 374.82 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)acetyl]amino]acetic acid is sourced from PubChem (CID 3054599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).