2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide

C10H14ClN3O — CID 115554562

IUPAC2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide
SMILESCc1cc(N)c(Cl)cc1N(C)CC(N)=O
InChIInChI=1S/C10H14ClN3O/c1-6-3-8(12)7(11)4-9(6)14(2)5-10(13)15/h3-4H,5,12H2,1-2H3,(H2,13,15)
InChIKeyNVWJHLKKTNDFSX-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.15
Rot. Bonds3

About 2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide

2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide (PubChem CID 115554562) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide
PubChem CID115554562
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide
SMILESCc1cc(N)c(Cl)cc1N(C)CC(N)=O
InChIInChI=1S/C10H14ClN3O/c1-6-3-8(12)7(11)4-9(6)14(2)5-10(13)15/h3-4H,5,12H2,1-2H3,(H2,13,15)
InChIKeyNVWJHLKKTNDFSX-UHFFFAOYSA-N
XLogP1.15
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 115554773
2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
CID 60930505
2-chloro-4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554599
2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
CID 113334402
2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 113334196
2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide
CID 63088172
2-chloro-5-methyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 115554375
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
CID 62495000
1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one
CID 115234566
2-chloro-4-N-[2-(dimethylamino)ethyl]-5-methyl-4-N-propylbenzene-1,4-diamine
CID 113334302
2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol
CID 115554676

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide?
The IUPAC name of 2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide (CID 115554562) is 2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide.
What is the SMILES notation for 2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide?
The canonical SMILES for 2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide is Cc1cc(N)c(Cl)cc1N(C)CC(N)=O.
What is the InChIKey of 2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide?
The InChIKey is NVWJHLKKTNDFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6-3-8(12)7(11)4-9(6)14(2)5-10(13)15/h3-4H,5,12H2,1-2H3,(H2,13,15).
What are the key properties of 2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide?
2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide has a molecular weight of 227.69 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide is sourced from PubChem (CID 115554562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).