2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid

C14H19ClN2O3 — CID 60834961

IUPAC2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid
SMILESCC(C)CNC(=O)CN(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-10(2)7-16-13(18)8-17(9-14(19)20)12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySUPBQOOIQGOUDN-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.00
Rot. Bonds7

About 2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid

2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid (PubChem CID 60834961) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid
PubChem CID60834961
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid
SMILESCC(C)CNC(=O)CN(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-10(2)7-16-13(18)8-17(9-14(19)20)12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySUPBQOOIQGOUDN-UHFFFAOYSA-N
XLogP2.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 60832897
2-[4-chloro-N-(2-methylpropylcarbamoyl)anilino]acetic acid
CID 61189187
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-(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-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid
CID 65058054
2-(4-chloro-N-hexylanilino)acetic acid
CID 60834817
2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 17468364
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 3969354
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid (CID 60834961) is 2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid is CC(C)CNC(=O)CN(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid?
The InChIKey is SUPBQOOIQGOUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-10(2)7-16-13(18)8-17(9-14(19)20)12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid?
2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid has a molecular weight of 298.77 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid is sourced from PubChem (CID 60834961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).