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

C14H14ClNO3 — CID 60833533

IUPAC2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid
SMILESCc1ccc(CN(CC(=O)O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H14ClNO3/c1-10-2-7-13(19-10)8-16(9-14(17)18)12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyOGCVURSAJMBTBZ-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.33
Rot. Bonds5

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

2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid (PubChem CID 60833533) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid
PubChem CID60833533
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid
SMILESCc1ccc(CN(CC(=O)O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H14ClNO3/c1-10-2-7-13(19-10)8-16(9-14(17)18)12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyOGCVURSAJMBTBZ-UHFFFAOYSA-N
XLogP3.33
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-N-[(4-chlorothiophen-2-yl)methyl]anilino]acetic acid
CID 79428121
2-[4-chloro-N-[(5-methyl-2-pyridinyl)methyl]anilino]acetic acid
CID 81319844
2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid
CID 54925633
2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid
CID 60834959
2-(4-chloro-N-[3-(methylamino)-3-oxopropyl]anilino)acetic acid
CID 62324660
2-[butan-2-yl-[(5-methylfuran-2-yl)methyl]amino]acetic acid
CID 60833890
2-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
2-[4-chloro-N-(2-methylidenebutyl)anilino]acetic acid
CID 66045975
2-[4-chloro-N-(3-methylbut-3-enyl)anilino]acetic acid
CID 114473132
2-(4-chloro-N-hexylanilino)acetic acid
CID 60834817
2-[4-chloro-N-(pyridin-2-ylmethyl)anilino]acetic acid
CID 54925675
2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid
CID 60834961

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid?
The IUPAC name of 2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid (CID 60833533) is 2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid is Cc1ccc(CN(CC(=O)O)c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid?
The InChIKey is OGCVURSAJMBTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-10-2-7-13(19-10)8-16(9-14(17)18)12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid?
2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid has a molecular weight of 279.72 g/mol, XLogP of 3.33, 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-methylfuran-2-yl)methyl]anilino]acetic acid is sourced from PubChem (CID 60833533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).