N-(4-bromophenyl)-2-diethoxyphosphorylacetamide

C12H17BrNO4P — CID 56955833

IUPACN-(4-bromophenyl)-2-diethoxyphosphorylacetamide
SMILESCCOP(=O)(CC(=O)Nc1ccc(Br)cc1)OCC
InChIInChI=1S/C12H17BrNO4P/c1-3-17-19(16,18-4-2)9-12(15)14-11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChIKeySXSCNLFBXJVFAO-UHFFFAOYSA-N
MW350.15 g/mol
LogP3.65
Rot. Bonds7

About N-(4-bromophenyl)-2-diethoxyphosphorylacetamide

N-(4-bromophenyl)-2-diethoxyphosphorylacetamide (PubChem CID 56955833) has the molecular formula C12H17BrNO4P and a molecular weight of 350.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-diethoxyphosphorylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-diethoxyphosphorylacetamide
PubChem CID56955833
Molecular FormulaC12H17BrNO4P
Molecular Weight350.15 g/mol
Exact Mass349.01
IUPAC NameN-(4-bromophenyl)-2-diethoxyphosphorylacetamide
SMILESCCOP(=O)(CC(=O)Nc1ccc(Br)cc1)OCC
InChIInChI=1S/C12H17BrNO4P/c1-3-17-19(16,18-4-2)9-12(15)14-11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChIKeySXSCNLFBXJVFAO-UHFFFAOYSA-N
XLogP3.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-(4-bromophenyl)-2-diethoxyphosphorylacetamide 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

(2S)-2-[(4-bromophenyl)carbamoylamino]-N-(diethoxyphosphorylmethyl)pentanamide
CID 71811754
[4-[(2-diethoxyphosphorylacetyl)amino]phenyl] 4-(dihydroxyamino)oxybutanoate
CID 89141094
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
[2-(4-bromoanilino)-2-oxoethyl]azanium
CID 4745313
N-(4-bromophenyl)-3-methylbut-3-enamide
CID 68925920
[2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate
CID 175058324
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-diethoxyphosphorylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-diethoxyphosphorylacetamide (CID 56955833) is N-(4-bromophenyl)-2-diethoxyphosphorylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-diethoxyphosphorylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-diethoxyphosphorylacetamide is CCOP(=O)(CC(=O)Nc1ccc(Br)cc1)OCC.
What is the InChIKey of N-(4-bromophenyl)-2-diethoxyphosphorylacetamide?
The InChIKey is SXSCNLFBXJVFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrNO4P/c1-3-17-19(16,18-4-2)9-12(15)14-11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of N-(4-bromophenyl)-2-diethoxyphosphorylacetamide?
N-(4-bromophenyl)-2-diethoxyphosphorylacetamide has a molecular weight of 350.15 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-diethoxyphosphorylacetamide is sourced from PubChem (CID 56955833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).