2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid

C12H12Cl2N2O4 — CID 43360198

IUPAC2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
SMILESCC(=O)N(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C12H12Cl2N2O4/c1-6(17)16(2)5-10(18)15-11-8(12(19)20)3-7(13)4-9(11)14/h3-4H,5H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyORKUCHHKAMXANZ-UHFFFAOYSA-N
MW319.14 g/mol
LogP2.11
Rot. Bonds4

About 2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid

2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid (PubChem CID 43360198) has the molecular formula C12H12Cl2N2O4 and a molecular weight of 319.14 g/mol. Its IUPAC name is 2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
PubChem CID43360198
Molecular FormulaC12H12Cl2N2O4
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Name2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
SMILESCC(=O)N(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C12H12Cl2N2O4/c1-6(17)16(2)5-10(18)15-11-8(12(19)20)3-7(13)4-9(11)14/h3-4H,5H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyORKUCHHKAMXANZ-UHFFFAOYSA-N
XLogP2.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(but-3-enoylamino)-3,5-dichlorobenzoic acid
CID 55103432
3,5-dichloro-2-(octanoylamino)benzoic acid
CID 43331454
3,5-dichloro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid
CID 61197209
4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid
CID 43614436
3,5-dichloro-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoic acid
CID 43360203
3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 55122374
3,5-dichloro-2-(propanoylcarbamothioylamino)benzoic acid
CID 960380
2-[2-hydroxyethyl(methyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 60683836
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79202526
2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid
CID 62670541
3,5-dichloro-2-(prop-2-enoylamino)benzoic acid
CID 43153770

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid?
The IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid (CID 43360198) is 2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid.
What is the SMILES notation for 2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid?
The canonical SMILES for 2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid is CC(=O)N(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid?
The InChIKey is ORKUCHHKAMXANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4/c1-6(17)16(2)5-10(18)15-11-8(12(19)20)3-7(13)4-9(11)14/h3-4H,5H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid?
2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid has a molecular weight of 319.14 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid is sourced from PubChem (CID 43360198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).