N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide

C23H19N3O3 — CID 20524365

IUPACN-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1ccc(OC(C#N)c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3/c1-16-7-5-6-10-20(16)22(27)26-23(28)25-18-11-13-19(14-12-18)29-21(15-24)17-8-3-2-4-9-17/h2-14,21H,1H3,(H2,25,26,27,28)
InChIKeyPXYSHHGPPNASHR-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.60
Rot. Bonds5

About N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide

N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide (PubChem CID 20524365) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide
PubChem CID20524365
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1ccc(OC(C#N)c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3/c1-16-7-5-6-10-20(16)22(27)26-23(28)25-18-11-13-19(14-12-18)29-21(15-24)17-8-3-2-4-9-17/h2-14,21H,1H3,(H2,25,26,27,28)
InChIKeyPXYSHHGPPNASHR-UHFFFAOYSA-N
XLogP4.60
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-(1-phenylpropoxy)phenyl]carbamoyl]benzamide
CID 20524502
2-methyl-N-[[4-(1-phenoxyethyl)phenyl]carbamoyl]benzamide
CID 70577786
N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide
CID 70575711
N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide
CID 13041497
N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 12878239
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
CID 111428764
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241
2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
CID 55748966
N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide
CID 20524556
2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
CID 112979818
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558

Frequently Asked Questions

What is the IUPAC name of N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide?
The IUPAC name of N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide (CID 20524365) is N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(=O)Nc1ccc(OC(C#N)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide?
The InChIKey is PXYSHHGPPNASHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-16-7-5-6-10-20(16)22(27)26-23(28)25-18-11-13-19(14-12-18)29-21(15-24)17-8-3-2-4-9-17/h2-14,21H,1H3,(H2,25,26,27,28).
What are the key properties of N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide?
N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide has a molecular weight of 385.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide is sourced from PubChem (CID 20524365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).