2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide

C21H19BrIN2O2P — CID 134977056

IUPAC2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide
SMILESNC(=O)NC(=O)C(I)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19BrIN2O2P/c22-28(16-10-4-1-5-11-16,17-12-6-2-7-13-17,18-14-8-3-9-15-18)19(23)20(26)25-21(24)27/h1-15,19H,(H3,24,25,26,27)
InChIKeyCROHWFUSAPTLPW-UHFFFAOYSA-N
MW569.18 g/mol
LogP3.78
Rot. Bonds5

About 2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide

2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide (PubChem CID 134977056) has the molecular formula C21H19BrIN2O2P and a molecular weight of 569.18 g/mol. Its IUPAC name is 2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide.

Molecular Properties

Compound Name2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide
PubChem CID134977056
Molecular FormulaC21H19BrIN2O2P
Molecular Weight569.18 g/mol
Exact Mass567.94
IUPAC Name2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide
SMILESNC(=O)NC(=O)C(I)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19BrIN2O2P/c22-28(16-10-4-1-5-11-16,17-12-6-2-7-13-17,18-14-8-3-9-15-18)19(23)20(26)25-21(24)27/h1-15,19H,(H3,24,25,26,27)
InChIKeyCROHWFUSAPTLPW-UHFFFAOYSA-N
XLogP3.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.18
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide
CID 134994875
(2R)-2-(benzhydrylamino)-N-carbamoyl-2-phenylacetamide
CID 8596163
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569
(2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide
CID 8640380
N-carbamoylbenzamide;urea
CID 157303801
2-(2-bromoanilino)-N-carbamoylpropanamide
CID 43083796
(2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide
CID 25355237
2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 45282102
(2R)-N-carbamoyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755898
(2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 9108985
2-(2-bromophenyl)sulfanyl-N-carbamoyl-3-methylbutanamide
CID 24527832

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide?
The IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide (CID 134977056) is 2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide.
What is the SMILES notation for 2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide?
The canonical SMILES for 2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide is NC(=O)NC(=O)C(I)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide?
The InChIKey is CROHWFUSAPTLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrIN2O2P/c22-28(16-10-4-1-5-11-16,17-12-6-2-7-13-17,18-14-8-3-9-15-18)19(23)20(26)25-21(24)27/h1-15,19H,(H3,24,25,26,27).
What are the key properties of 2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide?
2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide has a molecular weight of 569.18 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(triphenyl)-λ5-phosphanyl]-N-carbamoyl-2-iodoacetamide is sourced from PubChem (CID 134977056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).