trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium

C16H19NOP+ — CID 102451163

IUPACtrimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
SMILESC[P+](C)(C)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H18NOP/c1-19(2,3)15-12-8-7-11-14(15)16(18)17-13-9-5-4-6-10-13/h4-12H,1-3H3/p+1
InChIKeyVHWWUKXOKPVBQU-UHFFFAOYSA-O
MW272.31 g/mol
LogP3.47
Rot. Bonds3

About trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium

trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium (PubChem CID 102451163) has the molecular formula C16H19NOP+ and a molecular weight of 272.31 g/mol. Its IUPAC name is trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium.

Molecular Properties

Compound Nametrimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
PubChem CID102451163
Molecular FormulaC16H19NOP+
Molecular Weight272.31 g/mol
Exact Mass272.12
IUPAC Nametrimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
SMILESC[P+](C)(C)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H18NOP/c1-19(2,3)15-12-8-7-11-14(15)16(18)17-13-9-5-4-6-10-13/h4-12H,1-3H3/p+1
InChIKeyVHWWUKXOKPVBQU-UHFFFAOYSA-O
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-hydroxy-N-phenylbenzamide
CID 157209959
oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium
CID 174297215
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
2-(phenylcarbamoyl)benzenecarbothioic S-acid
CID 118007964
CID 164666940
CID 164666940
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-hydrazinyl-N-phenylbenzamide
CID 12569370
N-phenyl-2-[2-(phenylcarbamoyl)phenyl]selanyloxyselanylbenzamide
CID 139266638
tris[2-(phenylcarbamoyl)phenyl] phosphate
CID 121416140
2-phenoxy-N-phenylbenzamide
CID 3402306

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium?
The IUPAC name of trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium (CID 102451163) is trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium.
What is the SMILES notation for trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium?
The canonical SMILES for trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium is C[P+](C)(C)c1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium?
The InChIKey is VHWWUKXOKPVBQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18NOP/c1-19(2,3)15-12-8-7-11-14(15)16(18)17-13-9-5-4-6-10-13/h4-12H,1-3H3/p+1.
What are the key properties of trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium?
trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium has a molecular weight of 272.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium is sourced from PubChem (CID 102451163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).