5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid

C14H10ClNO5 — CID 19001066

IUPAC5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)Oc1ccccc1Cl
InChIInChI=1S/C14H10ClNO5/c15-10-3-1-2-4-12(10)21-14(20)16-8-5-6-11(17)9(7-8)13(18)19/h1-7,17H,(H,16,20)(H,18,19)
InChIKeyJGSFFXHYKDHFRP-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.35
Rot. Bonds3

About 5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid

5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid (PubChem CID 19001066) has the molecular formula C14H10ClNO5 and a molecular weight of 307.69 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid
PubChem CID19001066
Molecular FormulaC14H10ClNO5
Molecular Weight307.69 g/mol
Exact Mass307.02
IUPAC Name5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)Oc1ccccc1Cl
InChIInChI=1S/C14H10ClNO5/c15-10-3-1-2-4-12(10)21-14(20)16-8-5-6-11(17)9(7-8)13(18)19/h1-7,17H,(H,16,20)(H,18,19)
InChIKeyJGSFFXHYKDHFRP-UHFFFAOYSA-N
XLogP3.35
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 10377562
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
(2-chlorophenyl) 5-chloro-2-hydroxybenzoate
CID 71318938
2-hydroxy-5-[(2-iodobenzoyl)amino]benzoic acid
CID 16773138
5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 43805393
5-[[2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetyl]amino]-2-hydroxybenzoic acid
CID 59240271
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
(2-chloro-4-fluorophenyl) N-(3-fluorophenyl)carbamate
CID 4287006
phenyl N-[4-chloro-3-(trifluoromethoxy)phenyl]carbamate
CID 118233955
5-[[2-[[4-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-chlorophenyl]-2-chlorophenyl]diazenyl]-3-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 170842151
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid (CID 19001066) is 5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid is O=C(Nc1ccc(O)c(C(=O)O)c1)Oc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid?
The InChIKey is JGSFFXHYKDHFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO5/c15-10-3-1-2-4-12(10)21-14(20)16-8-5-6-11(17)9(7-8)13(18)19/h1-7,17H,(H,16,20)(H,18,19).
What are the key properties of 5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid?
5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid has a molecular weight of 307.69 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 19001066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).