2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide

C13H19ClN2O — CID 114075629

IUPAC2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide
SMILESCc1cc(Cl)ccc1C(NCC(C)C)C(N)=O
InChIInChI=1S/C13H19ClN2O/c1-8(2)7-16-12(13(15)17)11-5-4-10(14)6-9(11)3/h4-6,8,12,16H,7H2,1-3H3,(H2,15,17)
InChIKeyLWQPFSSOAHBPIT-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.42
Rot. Bonds5

About 2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide

2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide (PubChem CID 114075629) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide
PubChem CID114075629
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide
SMILESCc1cc(Cl)ccc1C(NCC(C)C)C(N)=O
InChIInChI=1S/C13H19ClN2O/c1-8(2)7-16-12(13(15)17)11-5-4-10(14)6-9(11)3/h4-6,8,12,16H,7H2,1-3H3,(H2,15,17)
InChIKeyLWQPFSSOAHBPIT-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(2-methylpropylamino)acetamide
CID 60995659
2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide
CID 54891273
2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 54891761
ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 66156658
2-(2,4-dimethylphenyl)-2-(ethylamino)acetamide
CID 60786894
2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide
CID 62134138
methyl 2-(3-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 54894670
4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
CID 175483234
2-(5-chloro-2-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 114843526
2-(cyclopropylmethylamino)-2-(2,4-dichlorophenyl)acetamide
CID 60995676
2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetamide
CID 79982650
2-(4-ethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891036

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide (CID 114075629) is 2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide is Cc1cc(Cl)ccc1C(NCC(C)C)C(N)=O.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide?
The InChIKey is LWQPFSSOAHBPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8(2)7-16-12(13(15)17)11-5-4-10(14)6-9(11)3/h4-6,8,12,16H,7H2,1-3H3,(H2,15,17).
What are the key properties of 2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide?
2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide has a molecular weight of 254.76 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide is sourced from PubChem (CID 114075629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).