2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid

C11H10ClN5O3 — CID 60826492

IUPAC2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)Cn1cnnn1)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN5O3/c12-8-1-3-9(4-2-8)17(6-11(19)20)10(18)5-16-7-13-14-15-16/h1-4,7H,5-6H2,(H,19,20)
InChIKeyQERBGZOBVATCLJ-UHFFFAOYSA-N
MW295.69 g/mol
LogP0.44
Rot. Bonds5

About 2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid

2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid (PubChem CID 60826492) has the molecular formula C11H10ClN5O3 and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid
PubChem CID60826492
Molecular FormulaC11H10ClN5O3
Molecular Weight295.69 g/mol
Exact Mass295.05
IUPAC Name2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)Cn1cnnn1)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN5O3/c12-8-1-3-9(4-2-8)17(6-11(19)20)10(18)5-16-7-13-14-15-16/h1-4,7H,5-6H2,(H,19,20)
InChIKeyQERBGZOBVATCLJ-UHFFFAOYSA-N
XLogP0.44
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71978533
2-(3-chloro-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid
CID 115348103
2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid
CID 115348095
N-methyl-N-phenyl-2-(tetrazol-1-yl)acetamide
CID 110856918
2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid
CID 61162445
2-(4-chloro-N-octanoylanilino)acetic acid
CID 60826659
2-[N-(6-aminohexanoyl)-4-chloroanilino]acetic acid
CID 61162256
2-[4-chloro-N-[3-(ethylamino)propanoyl]anilino]acetic acid
CID 55121340
N-[(1-methylindol-2-yl)methyl]-N-phenyl-2-(tetrazol-1-yl)acetamide
CID 42794009
2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
CID 60826489
3-[ethyl-[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 61007985
2-[4-chloro-N-[4-(methylamino)butanoyl]anilino]acetic acid
CID 61159949

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid (CID 60826492) is 2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid is O=C(O)CN(C(=O)Cn1cnnn1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid?
The InChIKey is QERBGZOBVATCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O3/c12-8-1-3-9(4-2-8)17(6-11(19)20)10(18)5-16-7-13-14-15-16/h1-4,7H,5-6H2,(H,19,20).
What are the key properties of 2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid?
2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid has a molecular weight of 295.69 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid is sourced from PubChem (CID 60826492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).