2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid

C17H15ClN2O5 — CID 143182996

IUPAC2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2O5/c1-2-25-16(23)10-3-5-11(6-4-10)19-17(24)20-12-7-8-13(15(21)22)14(18)9-12/h3-9H,2H2,1H3,(H,21,22)(H2,19,20,24)
InChIKeyDPZDLMGLWWWRMO-UHFFFAOYSA-N
MW362.77 g/mol
LogP3.86
Rot. Bonds5

About 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid

2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid (PubChem CID 143182996) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
PubChem CID143182996
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2O5/c1-2-25-16(23)10-3-5-11(6-4-10)19-17(24)20-12-7-8-13(15(21)22)14(18)9-12/h3-9H,2H2,1H3,(H,21,22)(H2,19,20,24)
InChIKeyDPZDLMGLWWWRMO-UHFFFAOYSA-N
XLogP3.86
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
CID 23881279
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[(4-bromo-3-methylphenyl)carbamoylamino]benzoate
CID 46859887
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889
5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid
CID 69241870
2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid
CID 28675057
2-chloro-4-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 61399288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid (CID 143182996) is 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid is CCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid?
The InChIKey is DPZDLMGLWWWRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c1-2-25-16(23)10-3-5-11(6-4-10)19-17(24)20-12-7-8-13(15(21)22)14(18)9-12/h3-9H,2H2,1H3,(H,21,22)(H2,19,20,24).
What are the key properties of 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid?
2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid has a molecular weight of 362.77 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 143182996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).