2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid

C13H14Cl2N2O3 — CID 62696180

IUPAC2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
SMILESO=C(CNC(C(=O)O)C1CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c14-8-2-1-3-9(15)12(8)17-10(18)6-16-11(13(19)20)7-4-5-7/h1-3,7,11,16H,4-6H2,(H,17,18)(H,19,20)
InChIKeyDUWMLMJHIXFLGA-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.38
Rot. Bonds6

About 2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid

2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 62696180) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
PubChem CID62696180
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
SMILESO=C(CNC(C(=O)O)C1CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c14-8-2-1-3-9(15)12(8)17-10(18)6-16-11(13(19)20)7-4-5-7/h1-3,7,11,16H,4-6H2,(H,17,18)(H,19,20)
InChIKeyDUWMLMJHIXFLGA-UHFFFAOYSA-N
XLogP2.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 62696976
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697159
2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid
CID 103256046
2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695043
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695436
2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697185
2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid
CID 62696962
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022
2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
CID 62694940
N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide
CID 43627352
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid (CID 62696180) is 2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid is O=C(CNC(C(=O)O)C1CC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is DUWMLMJHIXFLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-8-2-1-3-9(15)12(8)17-10(18)6-16-11(13(19)20)7-4-5-7/h1-3,7,11,16H,4-6H2,(H,17,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 317.17 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 62696180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).