3-chloro-4-propan-2-ylbenzoyl azide

C10H10ClN3O — CID 142945674

IUPAC3-chloro-4-propan-2-ylbenzoyl azide
SMILESCC(C)c1ccc(C(=O)N=[N+]=[N-])cc1Cl
InChIInChI=1S/C10H10ClN3O/c1-6(2)8-4-3-7(5-9(8)11)10(15)13-14-12/h3-6H,1-2H3
InChIKeyINSAVZPZZOFSCK-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.91
Rot. Bonds2

About 3-chloro-4-propan-2-ylbenzoyl azide

3-chloro-4-propan-2-ylbenzoyl azide (PubChem CID 142945674) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-chloro-4-propan-2-ylbenzoyl azide.

Molecular Properties

Compound Name3-chloro-4-propan-2-ylbenzoyl azide
PubChem CID142945674
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name3-chloro-4-propan-2-ylbenzoyl azide
SMILESCC(C)c1ccc(C(=O)N=[N+]=[N-])cc1Cl
InChIInChI=1S/C10H10ClN3O/c1-6(2)8-4-3-7(5-9(8)11)10(15)13-14-12/h3-6H,1-2H3
InChIKeyINSAVZPZZOFSCK-UHFFFAOYSA-N
XLogP3.91
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3,4-diethoxybenzoyl azide
CID 43307138
4-chloro-3-nitrobenzoyl azide
CID 133188482
3-bromo-4-methylbenzoyl azide
CID 81472134
2-(3-chloro-4-propan-2-ylphenyl)propanoic acid
CID 84791168
1-(4-chloro-3-propan-2-ylphenyl)ethanone
CID 58358949
methyl 4-[(1S)-1-acetamidoethyl]-3-chlorobenzoate
CID 58306484
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-chloro-1-propan-2-yl-4-(propan-2-ylsulfonylmethyl)benzene
CID 162184316
4-(2-cyanoacetyl)benzoyl azide
CID 143581887
benzoyl azide;(NE)-N-ethylidenehydroxylamine
CID 135184096
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
1-(4-azido-3,5-dichlorophenyl)ethanone
CID 54201819

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-propan-2-ylbenzoyl azide?
The IUPAC name of 3-chloro-4-propan-2-ylbenzoyl azide (CID 142945674) is 3-chloro-4-propan-2-ylbenzoyl azide.
What is the SMILES notation for 3-chloro-4-propan-2-ylbenzoyl azide?
The canonical SMILES for 3-chloro-4-propan-2-ylbenzoyl azide is CC(C)c1ccc(C(=O)N=[N+]=[N-])cc1Cl.
What is the InChIKey of 3-chloro-4-propan-2-ylbenzoyl azide?
The InChIKey is INSAVZPZZOFSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6(2)8-4-3-7(5-9(8)11)10(15)13-14-12/h3-6H,1-2H3.
What are the key properties of 3-chloro-4-propan-2-ylbenzoyl azide?
3-chloro-4-propan-2-ylbenzoyl azide has a molecular weight of 223.66 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-propan-2-ylbenzoyl azide is sourced from PubChem (CID 142945674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).