2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid

C12H15ClN2O3 — CID 82344881

IUPAC2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid
SMILESCC(=O)NCCNC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-8(16)14-6-7-15-11(12(17)18)9-2-4-10(13)5-3-9/h2-5,11,15H,6-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyNTFJCSQXNOFZKT-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.19
Rot. Bonds6

About 2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid

2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid (PubChem CID 82344881) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid
PubChem CID82344881
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid
SMILESCC(=O)NCCNC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-8(16)14-6-7-15-11(12(17)18)9-2-4-10(13)5-3-9/h2-5,11,15H,6-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyNTFJCSQXNOFZKT-UHFFFAOYSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[carboxy-(4-chlorophenyl)methyl]amino]propanoic acid
CID 82344898
2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid
CID 84751109
2-(3-acetamidopropylamino)-2-(4-methylsulfanylphenyl)acetic acid
CID 84746684
2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid
CID 62353698
2-(3-acetamidopropylamino)-2-(4-nitrophenyl)acetic acid
CID 84747170
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
2-(butylamino)-2-(3,4-difluorophenyl)acetic acid
CID 84746692
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
3-[4-[1-(2-acetamidoethylamino)-2-(4-chloroanilino)-2-oxoethyl]phenyl]-N-(2-aminophenyl)prop-2-enamide
CID 68509813
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid?
The IUPAC name of 2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid (CID 82344881) is 2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid.
What is the SMILES notation for 2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid?
The canonical SMILES for 2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid is CC(=O)NCCNC(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid?
The InChIKey is NTFJCSQXNOFZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8(16)14-6-7-15-11(12(17)18)9-2-4-10(13)5-3-9/h2-5,11,15H,6-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid?
2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid has a molecular weight of 270.72 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid is sourced from PubChem (CID 82344881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).