N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide

C14H18BrN3O2 — CID 107983677

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide
SMILESCc1cccc(C(=O)N(CC/C(N)=N/O)C2CC2)c1Br
InChIInChI=1S/C14H18BrN3O2/c1-9-3-2-4-11(13(9)15)14(19)18(10-5-6-10)8-7-12(16)17-20/h2-4,10,20H,5-8H2,1H3,(H2,16,17)
InChIKeyQMPWNFVWRLUGHT-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.50
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide (PubChem CID 107983677) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide
PubChem CID107983677
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide
SMILESCc1cccc(C(=O)N(CC/C(N)=N/O)C2CC2)c1Br
InChIInChI=1S/C14H18BrN3O2/c1-9-3-2-4-11(13(9)15)14(19)18(10-5-6-10)8-7-12(16)17-20/h2-4,10,20H,5-8H2,1H3,(H2,16,17)
InChIKeyQMPWNFVWRLUGHT-UHFFFAOYSA-N
XLogP2.50
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 76911641
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide
CID 76945662
2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103857135
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3,4-trifluorobenzamide
CID 79755748
N-[(5Z)-5-amino-5-hydroxyiminopentyl]-2-bromo-3-methylbenzamide
CID 107983695
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide
CID 77020926
3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid
CID 60844855
2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983259
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide
CID 81479946
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide
CID 54997157
2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 103853497

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide (CID 107983677) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide is Cc1cccc(C(=O)N(CC/C(N)=N/O)C2CC2)c1Br.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide?
The InChIKey is QMPWNFVWRLUGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-9-3-2-4-11(13(9)15)14(19)18(10-5-6-10)8-7-12(16)17-20/h2-4,10,20H,5-8H2,1H3,(H2,16,17).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide has a molecular weight of 340.22 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide is sourced from PubChem (CID 107983677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).