2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid

C15H15ClN2O2 — CID 81319844

IUPAC2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid
SMILESCc1ccc(CN(CC(=O)O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C15H15ClN2O2/c1-11-2-5-13(17-8-11)9-18(10-15(19)20)14-6-3-12(16)4-7-14/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyKTQCOSULWIQYHV-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.13
Rot. Bonds5

About 2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid

2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid (PubChem CID 81319844) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid
PubChem CID81319844
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid
SMILESCc1ccc(CN(CC(=O)O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C15H15ClN2O2/c1-11-2-5-13(17-8-11)9-18(10-15(19)20)14-6-3-12(16)4-7-14/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyKTQCOSULWIQYHV-UHFFFAOYSA-N
XLogP3.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-N-(pyridin-2-ylmethyl)anilino]acetic acid
CID 54925675
2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid
CID 60833533
2-[4-chloro-N-(2-methylidenebutyl)anilino]acetic acid
CID 66045975
2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid
CID 54925633
2-[4-chloro-N-(3-methylbut-3-enyl)anilino]acetic acid
CID 114473132
2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid
CID 60834959
2-[4-chloro-N-[(4-chlorothiophen-2-yl)methyl]anilino]acetic acid
CID 79428121
2-[4-chloro-N-[(5-fluoro-2-hydroxyphenyl)methyl]anilino]acetic acid
CID 107701771
2-[4-chloro-N-[(3-fluorophenyl)methyl]anilino]acetic acid
CID 60834960
2-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
2-[N-[(2,5-dimethylphenyl)methyl]-4-methylanilino]acetic acid
CID 61482196
2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid
CID 65058054

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid?
The IUPAC name of 2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid (CID 81319844) is 2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid is Cc1ccc(CN(CC(=O)O)c2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid?
The InChIKey is KTQCOSULWIQYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-11-2-5-13(17-8-11)9-18(10-15(19)20)14-6-3-12(16)4-7-14/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid?
2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid has a molecular weight of 290.75 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid is sourced from PubChem (CID 81319844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).