2-chloro-5-(diethylamino)benzoic acid

C11H14ClNO2 — CID 79695041

IUPAC2-chloro-5-(diethylamino)benzoic acid
SMILESCCN(CC)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C11H14ClNO2/c1-3-13(4-2)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyYAFGVDJAXGJAEQ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.88
Rot. Bonds4

About 2-chloro-5-(diethylamino)benzoic acid

2-chloro-5-(diethylamino)benzoic acid (PubChem CID 79695041) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-5-(diethylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(diethylamino)benzoic acid
PubChem CID79695041
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-5-(diethylamino)benzoic acid
SMILESCCN(CC)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C11H14ClNO2/c1-3-13(4-2)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyYAFGVDJAXGJAEQ-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(diethylamino)benzoic acid
CID 62945761
bis[2-chloro-4-(diethylamino)phenyl]methanone
CID 139673948
5-(diethylamino)-2-formylbenzoic acid
CID 20568014
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 62946083
2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
CID 6013982
2-chloro-4-[ethyl(2-methylprop-2-enyl)amino]benzoic acid
CID 55153564
2,5-bis[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid
CID 67893360
5-[carboxymethyl(ethylsulfonyl)amino]-2-chlorobenzoic acid
CID 50894486
4-(diethylamino)-2-(3-methylbutyl)benzoic acid
CID 18401314
5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid
CID 90958104
2-[4-(diethylamino)-2-(dimethylcarbamoyl)benzenecarbothioyl]benzoic acid
CID 22763612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylamino)benzoic acid?
The IUPAC name of 2-chloro-5-(diethylamino)benzoic acid (CID 79695041) is 2-chloro-5-(diethylamino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(diethylamino)benzoic acid?
The canonical SMILES for 2-chloro-5-(diethylamino)benzoic acid is CCN(CC)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-(diethylamino)benzoic acid?
The InChIKey is YAFGVDJAXGJAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-13(4-2)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-5-(diethylamino)benzoic acid?
2-chloro-5-(diethylamino)benzoic acid has a molecular weight of 227.69 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylamino)benzoic acid is sourced from PubChem (CID 79695041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).