2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide

C23H19N3O2 — CID 7758774

IUPAC2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C23H19N3O2/c1-16(18-9-3-2-4-10-18)25-23(28)20-12-5-6-13-21(20)26-22(27)19-11-7-8-17(14-19)15-24/h2-14,16H,1H3,(H,25,28)(H,26,27)/t16-/m1/s1
InChIKeyWMIWZXKHRQHNNQ-MRXNPFEDSA-N
MW369.42 g/mol
LogP4.30
Rot. Bonds5

About 2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide

2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 7758774) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID7758774
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C23H19N3O2/c1-16(18-9-3-2-4-10-18)25-23(28)20-12-5-6-13-21(20)26-22(27)19-11-7-8-17(14-19)15-24/h2-14,16H,1H3,(H,25,28)(H,26,27)/t16-/m1/s1
InChIKeyWMIWZXKHRQHNNQ-MRXNPFEDSA-N
XLogP4.30
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98112407
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17149781
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766
3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935158
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
3-[(3-cyanobenzoyl)amino]-2-methylbenzoic acid
CID 60748959
3,5-dinitro-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935085
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938490
3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide
CID 55632235

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide (CID 7758774) is 2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc(C#N)c1)c1ccccc1.
What is the InChIKey of 2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is WMIWZXKHRQHNNQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16(18-9-3-2-4-10-18)25-23(28)20-12-5-6-13-21(20)26-22(27)19-11-7-8-17(14-19)15-24/h2-14,16H,1H3,(H,25,28)(H,26,27)/t16-/m1/s1.
What are the key properties of 2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide?
2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 7758774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).