N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide

C23H17NO — CID 5070082

IUPACN-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)c1ccc2ccccc2c1
InChIInChI=1S/C23H17NO/c25-23(19-11-8-15-4-1-2-5-18(15)14-19)24-21-13-12-17-10-9-16-6-3-7-20(21)22(16)17/h1-8,11-14H,9-10H2,(H,24,25)
InChIKeyGDHPJEGGGGLJBZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.34
Rot. Bonds2

About N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide

N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide (PubChem CID 5070082) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide
PubChem CID5070082
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)c1ccc2ccccc2c1
InChIInChI=1S/C23H17NO/c25-23(19-11-8-15-4-1-2-5-18(15)14-19)24-21-13-12-17-10-9-16-6-3-7-20(21)22(16)17/h1-8,11-14H,9-10H2,(H,24,25)
InChIKeyGDHPJEGGGGLJBZ-UHFFFAOYSA-N
XLogP5.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide
CID 806873
N-(1,2-dihydroacenaphthylen-5-yl)-4-methoxy-3-nitrobenzamide
CID 1121272
N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4534840
N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide
CID 881818
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-methoxynaphthalene-2-carboxamide
CID 1343934
N-(2-acetamidophenyl)naphthalene-2-carboxamide
CID 787693
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
N-(2-sulfanylphenyl)naphthalene-2-carboxamide
CID 23961098
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16952532
N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide
CID 100511475

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide (CID 5070082) is N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide is O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc2ccccc2c1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide?
The InChIKey is GDHPJEGGGGLJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c25-23(19-11-8-15-4-1-2-5-18(15)14-19)24-21-13-12-17-10-9-16-6-3-7-20(21)22(16)17/h1-8,11-14H,9-10H2,(H,24,25).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide?
N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 5070082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).