N-(2-azido-4-chlorophenyl)-2-methylpropanamide

C10H11ClN4O — CID 169325352

IUPACN-(2-azido-4-chlorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Cl)cc1N=[N+]=[N-]
InChIInChI=1S/C10H11ClN4O/c1-6(2)10(16)13-8-4-3-7(11)5-9(8)14-15-12/h3-6H,1-2H3,(H,13,16)
InChIKeyUZBFQJRJMDSTKK-UHFFFAOYSA-N
MW238.68 g/mol
LogP3.88
Rot. Bonds3

About N-(2-azido-4-chlorophenyl)-2-methylpropanamide

N-(2-azido-4-chlorophenyl)-2-methylpropanamide (PubChem CID 169325352) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is N-(2-azido-4-chlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-azido-4-chlorophenyl)-2-methylpropanamide
PubChem CID169325352
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC NameN-(2-azido-4-chlorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Cl)cc1N=[N+]=[N-]
InChIInChI=1S/C10H11ClN4O/c1-6(2)10(16)13-8-4-3-7(11)5-9(8)14-15-12/h3-6H,1-2H3,(H,13,16)
InChIKeyUZBFQJRJMDSTKK-UHFFFAOYSA-N
XLogP3.88
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-azidophenyl)-2-methylpropanamide
CID 152547444
methyl N'-[5-chloro-2-(2-methylpropanoylamino)phenyl]-N-cyanocarbamimidothioate
CID 169362089
methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate
CID 138737748
2-azido-4-chloro-N,N-dimethylbenzamide
CID 169324899
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride
CID 119310318
4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide
CID 39194061
N-(2-chloro-4-formamidophenyl)-2-methylpropanamide
CID 168654137
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
N-(2-azido-4-methoxyphenyl)propanamide
CID 169324955
N-(2-chloro-4-isocyanatophenyl)-2-methylpropanamide
CID 169353154
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588

Frequently Asked Questions

What is the IUPAC name of N-(2-azido-4-chlorophenyl)-2-methylpropanamide?
The IUPAC name of N-(2-azido-4-chlorophenyl)-2-methylpropanamide (CID 169325352) is N-(2-azido-4-chlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-azido-4-chlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-azido-4-chlorophenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Cl)cc1N=[N+]=[N-].
What is the InChIKey of N-(2-azido-4-chlorophenyl)-2-methylpropanamide?
The InChIKey is UZBFQJRJMDSTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6(2)10(16)13-8-4-3-7(11)5-9(8)14-15-12/h3-6H,1-2H3,(H,13,16).
What are the key properties of N-(2-azido-4-chlorophenyl)-2-methylpropanamide?
N-(2-azido-4-chlorophenyl)-2-methylpropanamide has a molecular weight of 238.68 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azido-4-chlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 169325352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).