N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide

C22H22IN2O2P — CID 134994875

IUPACN-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide
SMILESCC(C(=O)NC(N)=O)P(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22IN2O2P/c1-17(21(26)25-22(24)27)28(23,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H3,24,25,26,27)
InChIKeyRFFINKBIVHVXJB-UHFFFAOYSA-N
MW504.31 g/mol
LogP3.45
Rot. Bonds5

About N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide

N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide (PubChem CID 134994875) has the molecular formula C22H22IN2O2P and a molecular weight of 504.31 g/mol. Its IUPAC name is N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide
PubChem CID134994875
Molecular FormulaC22H22IN2O2P
Molecular Weight504.31 g/mol
Exact Mass504.05
IUPAC NameN-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide
SMILESCC(C(=O)NC(N)=O)P(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22IN2O2P/c1-17(21(26)25-22(24)27)28(23,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H3,24,25,26,27)
InChIKeyRFFINKBIVHVXJB-UHFFFAOYSA-N
XLogP3.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide
CID 134977056
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569
(2R)-2-(benzhydrylamino)-N-carbamoyl-2-phenylacetamide
CID 8596163
2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 45282102
N-carbamoyl-2-methylpropanamide
CID 541584
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7811318
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 2520636
(2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide
CID 8640380
(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide
CID 25409314
(2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide
CID 8599213
2-(2-bromoanilino)-N-carbamoylpropanamide
CID 43083796

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide?
The IUPAC name of N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide (CID 134994875) is N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide?
The canonical SMILES for N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide is CC(C(=O)NC(N)=O)P(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide?
The InChIKey is RFFINKBIVHVXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22IN2O2P/c1-17(21(26)25-22(24)27)28(23,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H3,24,25,26,27).
What are the key properties of N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide?
N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide has a molecular weight of 504.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide is sourced from PubChem (CID 134994875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).