2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide

C13H20ClN3O — CID 115554773

IUPAC2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide
SMILESCc1cc(N)c(Cl)cc1N(C)CC(=O)NC(C)C
InChIInChI=1S/C13H20ClN3O/c1-8(2)16-13(18)7-17(4)12-6-10(14)11(15)5-9(12)3/h5-6,8H,7,15H2,1-4H3,(H,16,18)
InChIKeyGYQKCSJZNFXZDL-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.19
Rot. Bonds4

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

2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide (PubChem CID 115554773) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide
PubChem CID115554773
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide
SMILESCc1cc(N)c(Cl)cc1N(C)CC(=O)NC(C)C
InChIInChI=1S/C13H20ClN3O/c1-8(2)16-13(18)7-17(4)12-6-10(14)11(15)5-9(12)3/h5-6,8H,7,15H2,1-4H3,(H,16,18)
InChIKeyGYQKCSJZNFXZDL-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.19
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)acetamide
CID 115554562
2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109
2-(4,6-diamino-3-chloro-2-fluoro-N-methylanilino)-N-propan-2-ylacetamide
CID 103552909
2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide
CID 114041230
3-chloro-4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 81151891
2-[(3-chloro-4-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 71977838
4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride
CID 119691121
5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid
CID 114406077
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78913304
2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide
CID 107466147
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041
2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 114379201

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide (CID 115554773) is 2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide is Cc1cc(N)c(Cl)cc1N(C)CC(=O)NC(C)C.
What is the InChIKey of 2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide?
The InChIKey is GYQKCSJZNFXZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-8(2)16-13(18)7-17(4)12-6-10(14)11(15)5-9(12)3/h5-6,8H,7,15H2,1-4H3,(H,16,18).
What are the key properties of 2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide?
2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide has a molecular weight of 269.78 g/mol, XLogP of 2.19, 4 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)-N-propan-2-ylacetamide is sourced from PubChem (CID 115554773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).