3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid

C18H19ClN2O3 — CID 53052827

IUPAC3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid
SMILESCCN(CC)c1ccc(C(=O)O)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-3-21(4-2)16-10-9-12(18(23)24)11-15(16)20-17(22)13-7-5-6-8-14(13)19/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyLVGUPDCPYVPGJG-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.14
Rot. Bonds6

About 3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid

3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid (PubChem CID 53052827) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid
PubChem CID53052827
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid
SMILESCCN(CC)c1ccc(C(=O)O)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-3-21(4-2)16-10-9-12(18(23)24)11-15(16)20-17(22)13-7-5-6-8-14(13)19/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyLVGUPDCPYVPGJG-UHFFFAOYSA-N
XLogP4.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butyl(ethyl)amino]-3-[(2-fluorobenzoyl)amino]benzoic acid
CID 53052914
2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792040
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285198
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
CID 61213678
3-benzamido-4-[benzyl(methyl)amino]benzoic acid
CID 53053003
4-[butyl(ethyl)amino]-3-(thiophene-2-carbonylamino)benzoic acid
CID 53052985
3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264731
4-[bis(2-methylpropyl)amino]-3-[(3-methylbenzoyl)amino]benzoic acid
CID 53052961
3-chloro-4-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343365
3-chloro-4-[(N-ethylanilino)methyl]benzoic acid
CID 102669786

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid?
The IUPAC name of 3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid (CID 53052827) is 3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid.
What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid?
The canonical SMILES for 3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid is CCN(CC)c1ccc(C(=O)O)cc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid?
The InChIKey is LVGUPDCPYVPGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-21(4-2)16-10-9-12(18(23)24)11-15(16)20-17(22)13-7-5-6-8-14(13)19/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid?
3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid has a molecular weight of 346.81 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid is sourced from PubChem (CID 53052827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).