5-azido-2-chloro-N-cyclopropylbenzamide

C10H9ClN4O — CID 118607922

IUPAC5-azido-2-chloro-N-cyclopropylbenzamide
SMILES[N-]=[N+]=Nc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C10H9ClN4O/c11-9-4-3-7(14-15-12)5-8(9)10(16)13-6-1-2-6/h3-6H,1-2H2,(H,13,16)
InChIKeyYSKYIEFYZHRMDT-UHFFFAOYSA-N
MW236.66 g/mol
LogP3.17
Rot. Bonds3

About 5-azido-2-chloro-N-cyclopropylbenzamide

5-azido-2-chloro-N-cyclopropylbenzamide (PubChem CID 118607922) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-azido-2-chloro-N-cyclopropylbenzamide.

Molecular Properties

Compound Name5-azido-2-chloro-N-cyclopropylbenzamide
PubChem CID118607922
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name5-azido-2-chloro-N-cyclopropylbenzamide
SMILES[N-]=[N+]=Nc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C10H9ClN4O/c11-9-4-3-7(14-15-12)5-8(9)10(16)13-6-1-2-6/h3-6H,1-2H2,(H,13,16)
InChIKeyYSKYIEFYZHRMDT-UHFFFAOYSA-N
XLogP3.17
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 53.17
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

2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755
N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide
CID 79114648
4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide
CID 129113636
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78767649
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide
CID 129283620

Frequently Asked Questions

What is the IUPAC name of 5-azido-2-chloro-N-cyclopropylbenzamide?
The IUPAC name of 5-azido-2-chloro-N-cyclopropylbenzamide (CID 118607922) is 5-azido-2-chloro-N-cyclopropylbenzamide.
What is the SMILES notation for 5-azido-2-chloro-N-cyclopropylbenzamide?
The canonical SMILES for 5-azido-2-chloro-N-cyclopropylbenzamide is [N-]=[N+]=Nc1ccc(Cl)c(C(=O)NC2CC2)c1.
What is the InChIKey of 5-azido-2-chloro-N-cyclopropylbenzamide?
The InChIKey is YSKYIEFYZHRMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-9-4-3-7(14-15-12)5-8(9)10(16)13-6-1-2-6/h3-6H,1-2H2,(H,13,16).
What are the key properties of 5-azido-2-chloro-N-cyclopropylbenzamide?
5-azido-2-chloro-N-cyclopropylbenzamide has a molecular weight of 236.66 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-chloro-N-cyclopropylbenzamide is sourced from PubChem (CID 118607922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).