4-methyl-3-phosphanylbenzamide

C8H10NOP — CID 142140528

IUPAC4-methyl-3-phosphanylbenzamide
SMILESCc1ccc(C(N)=O)cc1P
InChIInChI=1S/C8H10NOP/c1-5-2-3-6(8(9)10)4-7(5)11/h2-4H,11H2,1H3,(H2,9,10)
InChIKeyRHMQTGWMMOGJMG-UHFFFAOYSA-N
MW167.15 g/mol
LogP0.59
Rot. Bonds1

About 4-methyl-3-phosphanylbenzamide

4-methyl-3-phosphanylbenzamide (PubChem CID 142140528) has the molecular formula C8H10NOP and a molecular weight of 167.15 g/mol. Its IUPAC name is 4-methyl-3-phosphanylbenzamide.

Molecular Properties

Compound Name4-methyl-3-phosphanylbenzamide
PubChem CID142140528
Molecular FormulaC8H10NOP
Molecular Weight167.15 g/mol
Exact Mass167.05
IUPAC Name4-methyl-3-phosphanylbenzamide
SMILESCc1ccc(C(N)=O)cc1P
InChIInChI=1S/C8H10NOP/c1-5-2-3-6(8(9)10)4-7(5)11/h2-4H,11H2,1H3,(H2,9,10)
InChIKeyRHMQTGWMMOGJMG-UHFFFAOYSA-N
XLogP0.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 50.59
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

2-phosphanylbenzene-1,4-dicarboxamide
CID 174651487
3-chloro-4-methylbenzamide;ethane
CID 162191867
3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane
CID 159802984
ethane;4-methyl-3-nitrobenzamide
CID 143806264
4-methyl-3-pyrrol-1-ylbenzamide
CID 91674702
4-methyl-3-pyrrolidin-1-ylbenzamide
CID 68604380
(5-carbamoyl-2-methylphenyl)methanesulfinic acid
CID 175241894
S-(5-carbamoyl-2-methylphenyl) N,N-dimethylcarbamothioate
CID 20800496
8-ethyl-7-methylnaphthalene-2-carboxamide
CID 142518693
2-[5-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 58135370
5-methylnaphthalene-2-carboxamide
CID 89351493
4-carbamoyl-2-methylbenzenesulfonyl chloride
CID 15922007

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phosphanylbenzamide?
The IUPAC name of 4-methyl-3-phosphanylbenzamide (CID 142140528) is 4-methyl-3-phosphanylbenzamide.
What is the SMILES notation for 4-methyl-3-phosphanylbenzamide?
The canonical SMILES for 4-methyl-3-phosphanylbenzamide is Cc1ccc(C(N)=O)cc1P.
What is the InChIKey of 4-methyl-3-phosphanylbenzamide?
The InChIKey is RHMQTGWMMOGJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NOP/c1-5-2-3-6(8(9)10)4-7(5)11/h2-4H,11H2,1H3,(H2,9,10).
What are the key properties of 4-methyl-3-phosphanylbenzamide?
4-methyl-3-phosphanylbenzamide has a molecular weight of 167.15 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phosphanylbenzamide is sourced from PubChem (CID 142140528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).