2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

C20H19N3O3 — CID 43013852

IUPAC2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H19N3O3/c21-12-14-7-9-15(10-8-14)19(24)23-18-6-2-1-5-17(18)20(25)22-13-16-4-3-11-26-16/h1-2,5-10,16H,3-4,11,13H2,(H,22,25)(H,23,24)
InChIKeyMEPILAFNQORTBS-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.72
Rot. Bonds5

About 2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 43013852) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID43013852
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H19N3O3/c21-12-14-7-9-15(10-8-14)19(24)23-18-6-2-1-5-17(18)20(25)22-13-16-4-3-11-26-16/h1-2,5-10,16H,3-4,11,13H2,(H,22,25)(H,23,24)
InChIKeyMEPILAFNQORTBS-UHFFFAOYSA-N
XLogP2.72
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40768505
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46542044
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664
2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4950696
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 43013852) is 2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is N#Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is MEPILAFNQORTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c21-12-14-7-9-15(10-8-14)19(24)23-18-6-2-1-5-17(18)20(25)22-13-16-4-3-11-26-16/h1-2,5-10,16H,3-4,11,13H2,(H,22,25)(H,23,24).
What are the key properties of 2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 43013852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).