2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid

C12H14ClNO3 — CID 63702725

IUPAC2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c1-3-14(8(2)15)11(12(16)17)9-6-4-5-7-10(9)13/h4-7,11H,3H2,1-2H3,(H,16,17)
InChIKeyIXZDADRYUFORMO-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.33
Rot. Bonds4

About 2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid

2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid (PubChem CID 63702725) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid
PubChem CID63702725
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c1-3-14(8(2)15)11(12(16)17)9-6-4-5-7-10(9)13/h4-7,11H,3H2,1-2H3,(H,16,17)
InChIKeyIXZDADRYUFORMO-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(ethyl)amino]-2-(2,5-difluorophenyl)acetic acid
CID 63701423
2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid
CID 63702733
2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid
CID 63701942
N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide
CID 58403911
2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488209
2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid
CID 63703488
(1R)-1-(2-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one
CID 59470867
2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63704797
2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid
CID 61416812
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid (CID 63702725) is 2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid is CCN(C(C)=O)C(C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid?
The InChIKey is IXZDADRYUFORMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-3-14(8(2)15)11(12(16)17)9-6-4-5-7-10(9)13/h4-7,11H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid?
2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid has a molecular weight of 255.70 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid is sourced from PubChem (CID 63702725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).