3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid

C14H9Cl2NO4 — CID 82811858

IUPAC3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid
SMILESO=C(Nc1c(Cl)cc(C(=O)O)cc1Cl)Oc1ccccc1
InChIInChI=1S/C14H9Cl2NO4/c15-10-6-8(13(18)19)7-11(16)12(10)17-14(20)21-9-4-2-1-3-5-9/h1-7H,(H,17,20)(H,18,19)
InChIKeyZTLFRRHKTXXFCU-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.30
Rot. Bonds3

About 3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid

3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid (PubChem CID 82811858) has the molecular formula C14H9Cl2NO4 and a molecular weight of 326.14 g/mol. Its IUPAC name is 3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid
PubChem CID82811858
Molecular FormulaC14H9Cl2NO4
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid
SMILESO=C(Nc1c(Cl)cc(C(=O)O)cc1Cl)Oc1ccccc1
InChIInChI=1S/C14H9Cl2NO4/c15-10-6-8(13(18)19)7-11(16)12(10)17-14(20)21-9-4-2-1-3-5-9/h1-7H,(H,17,20)(H,18,19)
InChIKeyZTLFRRHKTXXFCU-UHFFFAOYSA-N
XLogP4.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis[(4-chlorophenoxy)carbonylamino]benzoic acid
CID 67542680
phenyl N-(2,6-difluorophenyl)carbamate
CID 60631299
phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate
CID 164583961
4-(benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid
CID 50850018
3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 82812539
phenyl N-[4-chloro-3-(trifluoromethoxy)phenyl]carbamate
CID 118233955
phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate
CID 166590808
3,5-dichloro-4-[(2-chlorobenzoyl)carbamothioylamino]benzoic acid
CID 50850073
phenyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate
CID 18615646
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-phenoxycarbonylcarbamate
CID 11043392
3-[2,6-dimethyl-4-(phenoxycarbonylamino)phenyl]benzoic acid
CID 141375202

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid?
The IUPAC name of 3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid (CID 82811858) is 3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid?
The canonical SMILES for 3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid is O=C(Nc1c(Cl)cc(C(=O)O)cc1Cl)Oc1ccccc1.
What is the InChIKey of 3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid?
The InChIKey is ZTLFRRHKTXXFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO4/c15-10-6-8(13(18)19)7-11(16)12(10)17-14(20)21-9-4-2-1-3-5-9/h1-7H,(H,17,20)(H,18,19).
What are the key properties of 3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid?
3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid has a molecular weight of 326.14 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid is sourced from PubChem (CID 82811858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).