N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide

C13H19ClN2O — CID 61168620

IUPACN-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
SMILESCC(C)(C)CNCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)9-15-8-12(17)16-11-6-4-5-10(14)7-11/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyKWBAHVMMWHWQPY-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.91
Rot. Bonds4

About N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide

N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide (PubChem CID 61168620) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
PubChem CID61168620
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
SMILESCC(C)(C)CNCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)9-15-8-12(17)16-11-6-4-5-10(14)7-11/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyKWBAHVMMWHWQPY-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 103911908
N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide
CID 116643821
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(3-chlorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 115745385
2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide
CID 107583061
N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583672

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide (CID 61168620) is N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide is CC(C)(C)CNCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide?
The InChIKey is KWBAHVMMWHWQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2,3)9-15-8-12(17)16-11-6-4-5-10(14)7-11/h4-7,15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide?
N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide has a molecular weight of 254.76 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide is sourced from PubChem (CID 61168620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).