N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide

C22H20N2O2 — CID 2986145

IUPACN-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H20N2O2/c25-21(20-9-5-7-16-6-1-2-8-19(16)20)23-18-12-10-17(11-13-18)22(26)24-14-3-4-15-24/h1-2,5-13H,3-4,14-15H2,(H,23,25)
InChIKeyPPJJWYOVOYNCSQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.33
Rot. Bonds3

About N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide

N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide (PubChem CID 2986145) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
PubChem CID2986145
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H20N2O2/c25-21(20-9-5-7-16-6-1-2-8-19(16)20)23-18-12-10-17(11-13-18)22(26)24-14-3-4-15-24/h1-2,5-13H,3-4,14-15H2,(H,23,25)
InChIKeyPPJJWYOVOYNCSQ-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 56796102
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 4028194
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N-[4-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687294
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835242
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
6-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119181942

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide (CID 2986145) is N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is PPJJWYOVOYNCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-21(20-9-5-7-16-6-1-2-8-19(16)20)23-18-12-10-17(11-13-18)22(26)24-14-3-4-15-24/h1-2,5-13H,3-4,14-15H2,(H,23,25).
What are the key properties of N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide?
N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 2986145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).