N-(4-isocyanophenyl)benzamide

C14H10N2O — CID 58674132

IUPACN-(4-isocyanophenyl)benzamide
SMILES[C-]#[N+]c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C14H10N2O/c1-15-12-7-9-13(10-8-12)16-14(17)11-5-3-2-4-6-11/h2-10H,(H,16,17)
InChIKeySGUUTDXTYQZTNL-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.49
Rot. Bonds2

About N-(4-isocyanophenyl)benzamide

N-(4-isocyanophenyl)benzamide (PubChem CID 58674132) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(4-isocyanophenyl)benzamide.

Molecular Properties

Compound NameN-(4-isocyanophenyl)benzamide
PubChem CID58674132
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC NameN-(4-isocyanophenyl)benzamide
SMILES[C-]#[N+]c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C14H10N2O/c1-15-12-7-9-13(10-8-12)16-14(17)11-5-3-2-4-6-11/h2-10H,(H,16,17)
InChIKeySGUUTDXTYQZTNL-UHFFFAOYSA-N
XLogP3.49
TPSA33.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(4-isocyanophenyl)benzamide
CID 91305596
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[4-(phenylcarbamothioylamino)phenyl]benzamide
CID 17235348
N-[4-(2-benzoylhydrazinyl)phenyl]benzamide
CID 23454945
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
N-[4-(ethylamino)phenyl]benzamide
CID 71038629
N-(4-ethylphenyl)benzamide
CID 774063

Frequently Asked Questions

What is the IUPAC name of N-(4-isocyanophenyl)benzamide?
The IUPAC name of N-(4-isocyanophenyl)benzamide (CID 58674132) is N-(4-isocyanophenyl)benzamide.
What is the SMILES notation for N-(4-isocyanophenyl)benzamide?
The canonical SMILES for N-(4-isocyanophenyl)benzamide is [C-]#[N+]c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-isocyanophenyl)benzamide?
The InChIKey is SGUUTDXTYQZTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-15-12-7-9-13(10-8-12)16-14(17)11-5-3-2-4-6-11/h2-10H,(H,16,17).
What are the key properties of N-(4-isocyanophenyl)benzamide?
N-(4-isocyanophenyl)benzamide has a molecular weight of 222.25 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-isocyanophenyl)benzamide is sourced from PubChem (CID 58674132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).