(2-methylphenyl)urea;phosphane

C8H13N2OP — CID 175888509

IUPAC(2-methylphenyl)urea;phosphane
SMILESCc1ccccc1NC(N)=O.P
InChIInChI=1S/C8H10N2O.H3P/c1-6-4-2-3-5-7(6)10-8(9)11;/h2-5H,1H3,(H3,9,10,11);1H3
InChIKeyUUKYBTFJUCTRQF-UHFFFAOYSA-N
MW184.18 g/mol
LogP1.54
Rot. Bonds1

About (2-methylphenyl)urea;phosphane

(2-methylphenyl)urea;phosphane (PubChem CID 175888509) has the molecular formula C8H13N2OP and a molecular weight of 184.18 g/mol. Its IUPAC name is (2-methylphenyl)urea;phosphane.

Molecular Properties

Compound Name(2-methylphenyl)urea;phosphane
PubChem CID175888509
Molecular FormulaC8H13N2OP
Molecular Weight184.18 g/mol
Exact Mass184.08
IUPAC Name(2-methylphenyl)urea;phosphane
SMILESCc1ccccc1NC(N)=O.P
InChIInChI=1S/C8H10N2O.H3P/c1-6-4-2-3-5-7(6)10-8(9)11;/h2-5H,1H3,(H3,9,10,11);1H3
InChIKeyUUKYBTFJUCTRQF-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
2-(2-methylanilino)prop-2-enoic acid
CID 67584217
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
(3-amino-2-methylphenyl)urea
CID 16770559
acetic acid;1,2-bis(2-methylphenyl)guanidine
CID 160854655
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
2-fluoro-2-methyl-N-(2-methylphenyl)propanamide
CID 130165272
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)urea;phosphane?
The IUPAC name of (2-methylphenyl)urea;phosphane (CID 175888509) is (2-methylphenyl)urea;phosphane.
What is the SMILES notation for (2-methylphenyl)urea;phosphane?
The canonical SMILES for (2-methylphenyl)urea;phosphane is Cc1ccccc1NC(N)=O.P.
What is the InChIKey of (2-methylphenyl)urea;phosphane?
The InChIKey is UUKYBTFJUCTRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.H3P/c1-6-4-2-3-5-7(6)10-8(9)11;/h2-5H,1H3,(H3,9,10,11);1H3.
What are the key properties of (2-methylphenyl)urea;phosphane?
(2-methylphenyl)urea;phosphane has a molecular weight of 184.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)urea;phosphane is sourced from PubChem (CID 175888509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).