molecular hydrogen;N-phenylbenzamide

C13H13NO — CID 145238042

IUPACmolecular hydrogen;N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1.[H][H]
InChIInChI=1S/C13H11NO.H2/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;/h1-10H,(H,14,15);1H
InChIKeyWMOHBWMPKNPVOZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.18
Rot. Bonds2

About molecular hydrogen;N-phenylbenzamide

molecular hydrogen;N-phenylbenzamide (PubChem CID 145238042) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is molecular hydrogen;N-phenylbenzamide.

Molecular Properties

Compound Namemolecular hydrogen;N-phenylbenzamide
PubChem CID145238042
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Namemolecular hydrogen;N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1.[H][H]
InChIInChI=1S/C13H11NO.H2/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;/h1-10H,(H,14,15);1H
InChIKeyWMOHBWMPKNPVOZ-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[4-(phenylcarbamothioylamino)phenyl]benzamide
CID 17235348
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
4-(phenylcarbamoyl)benzoate
CID 158012761
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
N-[4-(sulfanylmethyl)phenyl]benzamide
CID 130322927
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[4-(2-benzoylhydrazinyl)phenyl]benzamide
CID 23454945
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide
CID 139914016

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-phenylbenzamide?
The IUPAC name of molecular hydrogen;N-phenylbenzamide (CID 145238042) is molecular hydrogen;N-phenylbenzamide.
What is the SMILES notation for molecular hydrogen;N-phenylbenzamide?
The canonical SMILES for molecular hydrogen;N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1.[H][H].
What is the InChIKey of molecular hydrogen;N-phenylbenzamide?
The InChIKey is WMOHBWMPKNPVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.H2/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;/h1-10H,(H,14,15);1H.
What are the key properties of molecular hydrogen;N-phenylbenzamide?
molecular hydrogen;N-phenylbenzamide has a molecular weight of 199.25 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-phenylbenzamide is sourced from PubChem (CID 145238042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).