N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide

C13H14N2O2 — CID 63820678

IUPACN-[cyano(cyclopropyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C#N)C2CC2)cc1
InChIInChI=1S/C13H14N2O2/c1-17-11-6-4-10(5-7-11)13(16)15-12(8-14)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,15,16)
InChIKeyFWCFGDULRSXMQF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.73
Rot. Bonds4

About N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide

N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide (PubChem CID 63820678) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-4-methoxybenzamide
PubChem CID63820678
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-[cyano(cyclopropyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C#N)C2CC2)cc1
InChIInChI=1S/C13H14N2O2/c1-17-11-6-4-10(5-7-11)13(16)15-12(8-14)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,15,16)
InChIKeyFWCFGDULRSXMQF-UHFFFAOYSA-N
XLogP1.73
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide
CID 115618789
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide
CID 115283322
N-(1-cyanoethyl)-4-methoxybenzamide
CID 61119459
N-[cyano(cyclopropyl)methyl]-4-methoxy-3-nitrobenzamide
CID 63821049
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
CID 63821791
3-chloro-N-[(S)-cyano(cyclopropyl)methyl]-4-hydroxy-5-methoxybenzamide
CID 99636990
N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxybenzamide
CID 87849661
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
methyl 2-[2-[[(R)-cyano(cyclopropyl)methyl]carbamoyl]phenyl]benzoate
CID 99842512
N-[cyano(cyclopropyl)methyl]-3-methylsulfonylbenzamide
CID 63822853
N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide
CID 56587993

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide (CID 63820678) is N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C#N)C2CC2)cc1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide?
The InChIKey is FWCFGDULRSXMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-11-6-4-10(5-7-11)13(16)15-12(8-14)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,15,16).
What are the key properties of N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide?
N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide has a molecular weight of 230.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 63820678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).