N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

C19H17N3O2 — CID 95568631

IUPACN-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C19H17N3O2/c1-12-9-16(12)19(24)21-15-7-4-6-13(10-15)18(23)22-17-8-3-2-5-14(17)11-20/h2-8,10,12,16H,9H2,1H3,(H,21,24)(H,22,23)/t12-,16-/m0/s1
InChIKeyIFZPFFNIEIXNFA-LRDDRELGSA-N
MW319.36 g/mol
LogP3.41
Rot. Bonds4

About N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (PubChem CID 95568631) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
PubChem CID95568631
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C19H17N3O2/c1-12-9-16(12)19(24)21-15-7-4-6-13(10-15)18(23)22-17-8-3-2-5-14(17)11-20/h2-8,10,12,16H,9H2,1H3,(H,21,24)(H,22,23)/t12-,16-/m0/s1
InChIKeyIFZPFFNIEIXNFA-LRDDRELGSA-N
XLogP3.41
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 52523750
methyl 3-[[3-[(2-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057734
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55669195
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947
N-[3-chloro-2-(dimethylamino)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55763063
N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 60528421
3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide
CID 94151705
N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 87012107
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (CID 95568631) is N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is IFZPFFNIEIXNFA-LRDDRELGSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-9-16(12)19(24)21-15-7-4-6-13(10-15)18(23)22-17-8-3-2-5-14(17)11-20/h2-8,10,12,16H,9H2,1H3,(H,21,24)(H,22,23)/t12-,16-/m0/s1.
What are the key properties of N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 319.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 95568631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).