N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide

C11H14BrN3O2 — CID 107800560

IUPACN-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1cc(Br)ccc1/C(N)=N/O
InChIInChI=1S/C11H14BrN3O2/c1-2-3-10(16)14-9-6-7(12)4-5-8(9)11(13)15-17/h4-6,17H,2-3H2,1H3,(H2,13,15)(H,14,16)
InChIKeyFSXFCDHBJKEGDN-UHFFFAOYSA-N
MW300.16 g/mol
LogP2.28
Rot. Bonds4

About N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide

N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide (PubChem CID 107800560) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide
PubChem CID107800560
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1cc(Br)ccc1/C(N)=N/O
InChIInChI=1S/C11H14BrN3O2/c1-2-3-10(16)14-9-6-7(12)4-5-8(9)11(13)15-17/h4-6,17H,2-3H2,1H3,(H2,13,15)(H,14,16)
InChIKeyFSXFCDHBJKEGDN-UHFFFAOYSA-N
XLogP2.28
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 52.28
H-Bond Donors ≤ 53
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-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide 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-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide
CID 82703720
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-3-methylsulfanylpropanamide
CID 107800712
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-ethoxyacetamide
CID 107800557
3-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-ethyl-1-methylurea
CID 107800929
5-bromo-2-(butanoylamino)benzamide
CID 12989236
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-3-ethoxypropanamide
CID 82703946
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107800714
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylcyclohexane-1-carboxamide
CID 107800722
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 107800938
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide?
The IUPAC name of N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide (CID 107800560) is N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide.
What is the SMILES notation for N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide?
The canonical SMILES for N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide is CCCC(=O)Nc1cc(Br)ccc1/C(N)=N/O.
What is the InChIKey of N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide?
The InChIKey is FSXFCDHBJKEGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-2-3-10(16)14-9-6-7(12)4-5-8(9)11(13)15-17/h4-6,17H,2-3H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide?
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide has a molecular weight of 300.16 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide is sourced from PubChem (CID 107800560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).