N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide

C13H19ClN2O2 — CID 134122442

IUPACN-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide
SMILESCON(Cc1ccc(N)cc1Cl)C(=O)C(C)(C)C
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)12(17)16(18-4)8-9-5-6-10(15)7-11(9)14/h5-7H,8,15H2,1-4H3
InChIKeyNQKUPBIKKYNREL-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.86
Rot. Bonds3

About N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide

N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide (PubChem CID 134122442) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide
PubChem CID134122442
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide
SMILESCON(Cc1ccc(N)cc1Cl)C(=O)C(C)(C)C
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)12(17)16(18-4)8-9-5-6-10(15)7-11(9)14/h5-7H,8,15H2,1-4H3
InChIKeyNQKUPBIKKYNREL-UHFFFAOYSA-N
XLogP2.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate
CID 69079767
N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide
CID 178067840
3-chloro-4-[(dimethylamino)methyl]aniline;dihydrochloride
CID 52983627
methyl (2S)-2-amino-3-(4-amino-2-chlorophenyl)propanoate
CID 171238434
N-[(4-amino-2-chlorophenyl)methyl]acetamide
CID 142080080
[(4-tert-butyl-2-chlorophenyl)methyl-methoxyamino]phosphonic acid
CID 172798184
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
3-chloro-4-(3-methoxypropylsulfonylmethyl)aniline
CID 55260925
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide
CID 115738829
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60939480
2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049
methyl 3-(4-amino-2-chlorophenyl)sulfanyl-2,2-dimethylpropanoate
CID 79629629

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide?
The IUPAC name of N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide (CID 134122442) is N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide?
The canonical SMILES for N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide is CON(Cc1ccc(N)cc1Cl)C(=O)C(C)(C)C.
What is the InChIKey of N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide?
The InChIKey is NQKUPBIKKYNREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,3)12(17)16(18-4)8-9-5-6-10(15)7-11(9)14/h5-7H,8,15H2,1-4H3.
What are the key properties of N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide?
N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide is sourced from PubChem (CID 134122442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).