3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid

C12H12Cl2N2O3 — CID 82830861

IUPAC3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid
SMILESO=C(CNC1CC1)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C12H12Cl2N2O3/c13-8-3-6(12(18)19)4-9(14)11(8)16-10(17)5-15-7-1-2-7/h3-4,7,15H,1-2,5H2,(H,16,17)(H,18,19)
InChIKeyVORHCNPAYXBAKZ-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.38
Rot. Bonds5

About 3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid

3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid (PubChem CID 82830861) has the molecular formula C12H12Cl2N2O3 and a molecular weight of 303.14 g/mol. Its IUPAC name is 3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid
PubChem CID82830861
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.14 g/mol
Exact Mass302.02
IUPAC Name3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid
SMILESO=C(CNC1CC1)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C12H12Cl2N2O3/c13-8-3-6(12(18)19)4-9(14)11(8)16-10(17)5-15-7-1-2-7/h3-4,7,15H,1-2,5H2,(H,16,17)(H,18,19)
InChIKeyVORHCNPAYXBAKZ-UHFFFAOYSA-N
XLogP2.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-(2,4,6-trichlorophenyl)acetamide
CID 60647047
3,5-dichloro-4-[3-(cyclopropylamino)propanoylamino]benzoic acid
CID 82830785
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
CID 82830278
4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid
CID 82830709
3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 82812101
N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide
CID 43627352
2-(cyclopropylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60647336
3,5-dichloro-4-(4,4,4-trifluorobutanoylamino)benzoic acid
CID 82830697
3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid
CID 82831221
3,5-dichloro-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 82830565
3,5-dichloro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 82811187
2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid
CID 60851750

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid?
The IUPAC name of 3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid (CID 82830861) is 3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid is O=C(CNC1CC1)Nc1c(Cl)cc(C(=O)O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid?
The InChIKey is VORHCNPAYXBAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c13-8-3-6(12(18)19)4-9(14)11(8)16-10(17)5-15-7-1-2-7/h3-4,7,15H,1-2,5H2,(H,16,17)(H,18,19).
What are the key properties of 3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid?
3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid has a molecular weight of 303.14 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid is sourced from PubChem (CID 82830861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).