4-(3-chloro-N,4-dimethylanilino)benzoic acid

C15H14ClNO2 — CID 150399122

IUPAC4-(3-chloro-N,4-dimethylanilino)benzoic acid
SMILESCc1ccc(N(C)c2ccc(C(=O)O)cc2)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-3-6-13(9-14(10)16)17(2)12-7-4-11(5-8-12)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyHDJNVKHLGBXOSB-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.11
Rot. Bonds3

About 4-(3-chloro-N,4-dimethylanilino)benzoic acid

4-(3-chloro-N,4-dimethylanilino)benzoic acid (PubChem CID 150399122) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-(3-chloro-N,4-dimethylanilino)benzoic acid.

Molecular Properties

Compound Name4-(3-chloro-N,4-dimethylanilino)benzoic acid
PubChem CID150399122
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name4-(3-chloro-N,4-dimethylanilino)benzoic acid
SMILESCc1ccc(N(C)c2ccc(C(=O)O)cc2)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-3-6-13(9-14(10)16)17(2)12-7-4-11(5-8-12)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyHDJNVKHLGBXOSB-UHFFFAOYSA-N
XLogP4.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chloro-3-methylbenzoyl)-methylamino]benzoic acid
CID 104698206
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754
2-(3-chloro-N,4-dimethylanilino)propanoic acid
CID 133150351
3-(4-chloro-N-methylanilino)benzoic acid
CID 117029301
4-(3-acetyl-N-methylanilino)benzoic acid
CID 117029329
3-(N,3,4-trimethylanilino)benzoic acid
CID 117029291
3-chloro-N,N,4-trimethylaniline
CID 12637287
2-methyl-4-(N-methylanilino)benzoic acid
CID 62136290
4-(N-methylanilino)benzoic acid;1-[4-(N-methylanilino)phenyl]ethanone
CID 159806188
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
3-(N,4-dimethylanilino)benzoic acid
CID 102822798
4-(4-bromo-N,2-dimethylanilino)benzoic acid
CID 117029334

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-N,4-dimethylanilino)benzoic acid?
The IUPAC name of 4-(3-chloro-N,4-dimethylanilino)benzoic acid (CID 150399122) is 4-(3-chloro-N,4-dimethylanilino)benzoic acid.
What is the SMILES notation for 4-(3-chloro-N,4-dimethylanilino)benzoic acid?
The canonical SMILES for 4-(3-chloro-N,4-dimethylanilino)benzoic acid is Cc1ccc(N(C)c2ccc(C(=O)O)cc2)cc1Cl.
What is the InChIKey of 4-(3-chloro-N,4-dimethylanilino)benzoic acid?
The InChIKey is HDJNVKHLGBXOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-3-6-13(9-14(10)16)17(2)12-7-4-11(5-8-12)15(18)19/h3-9H,1-2H3,(H,18,19).
What are the key properties of 4-(3-chloro-N,4-dimethylanilino)benzoic acid?
4-(3-chloro-N,4-dimethylanilino)benzoic acid has a molecular weight of 275.74 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-N,4-dimethylanilino)benzoic acid is sourced from PubChem (CID 150399122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).