phenylcarbamic acid

C7H7NO2 — CID 10392

IUPACphenylcarbamic acid
SMILESO=C(O)Nc1ccccc1
InChIInChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)
InChIKeyPWXJULSLLONQHY-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.78
Rot. Bonds1

About phenylcarbamic acid

phenylcarbamic acid (PubChem CID 10392) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is phenylcarbamic acid.

Molecular Properties

Compound Namephenylcarbamic acid
PubChem CID10392
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Namephenylcarbamic acid
SMILESO=C(O)Nc1ccccc1
InChIInChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)
InChIKeyPWXJULSLLONQHY-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Acetanilide
CID 904
Propham
CID 24685
Formanilide
CID 7671
Phenylurea
CID 6145
Oxanilic acid
CID 10378
Ethyl N-phenylcarbamate
CID 7591
2-Propanone O-((phenylamino)carbonyl)oxime
CID 17808
1-Hydroxy-3-phenylurea
CID 81786
Methyl phenylcarbamate
CID 17451
Carbanilic acid, p-iodo-, ethyl ester
CID 53741
Butyl carbanilate
CID 15233
Sec-butyl carbanilate
CID 259745

Frequently Asked Questions

What is the IUPAC name of phenylcarbamic acid?
The IUPAC name of phenylcarbamic acid (CID 10392) is phenylcarbamic acid.
What is the SMILES notation for phenylcarbamic acid?
The canonical SMILES for phenylcarbamic acid is O=C(O)Nc1ccccc1.
What is the InChIKey of phenylcarbamic acid?
The InChIKey is PWXJULSLLONQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10).
What are the key properties of phenylcarbamic acid?
phenylcarbamic acid has a molecular weight of 137.14 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylcarbamic acid is sourced from PubChem (CID 10392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).