N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide

C20H16N2O — CID 39858954

IUPACN-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C20H16N2O/c1-22(14-16-11-9-15(13-21)10-12-16)20(23)19-8-4-6-17-5-2-3-7-18(17)19/h2-12H,14H2,1H3
InChIKeySZKQRYVDIQZUIP-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.98
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide

N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide (PubChem CID 39858954) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide
PubChem CID39858954
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC NameN-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C20H16N2O/c1-22(14-16-11-9-15(13-21)10-12-16)20(23)19-8-4-6-17-5-2-3-7-18(17)19/h2-12H,14H2,1H3
InChIKeySZKQRYVDIQZUIP-UHFFFAOYSA-N
XLogP3.98
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyanophenyl)methyl]-N,2,3-trimethylbenzamide
CID 39858837
2-bromo-N-[(4-cyanophenyl)methyl]-N,3-dimethylbenzamide
CID 103853128
2-bromo-N-[(4-cyanophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103754344
N-[(4-cyanophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 39859920
N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 39858915
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 103882406
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
5-amino-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 61107084
N-[2-[benzyl(methyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 30337138
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide (CID 39858954) is N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide is CN(Cc1ccc(C#N)cc1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide?
The InChIKey is SZKQRYVDIQZUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-22(14-16-11-9-15(13-21)10-12-16)20(23)19-8-4-6-17-5-2-3-7-18(17)19/h2-12H,14H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide?
N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 39858954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).