3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid

C12H14Cl2N2O3 — CID 55122374

IUPAC3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
SMILESCNC(C)(C)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-12(2,15-3)11(19)16-9-7(10(17)18)4-6(13)5-8(9)14/h4-5,15H,1-3H3,(H,16,19)(H,17,18)
InChIKeyNAHYZGMGJKXMPI-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.63
Rot. Bonds4

About 3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid

3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid (PubChem CID 55122374) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
PubChem CID55122374
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
SMILESCNC(C)(C)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-12(2,15-3)11(19)16-9-7(10(17)18)4-6(13)5-8(9)14/h4-5,15H,1-3H3,(H,16,19)(H,17,18)
InChIKeyNAHYZGMGJKXMPI-UHFFFAOYSA-N
XLogP2.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79202526
3,5-dichloro-2-(prop-2-enoylamino)benzoic acid
CID 43153770
2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
CID 43360198
2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid
CID 61161551
2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid
CID 107569132
5-chloro-3-iodo-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 167721321
2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid
CID 62670541
3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954
N-(2,5-dichlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62834105
3,5-dichloro-2-(propanoylcarbamothioylamino)benzoic acid
CID 960380
2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid
CID 43360187
3,5-dichloro-2-(octanoylamino)benzoic acid
CID 43331454

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid (CID 55122374) is 3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid is CNC(C)(C)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid?
The InChIKey is NAHYZGMGJKXMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-12(2,15-3)11(19)16-9-7(10(17)18)4-6(13)5-8(9)14/h4-5,15H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid?
3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid has a molecular weight of 305.16 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid is sourced from PubChem (CID 55122374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).