N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C25H24N2O2 — CID 100703574

IUPACN-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H24N2O2/c28-24(21-15-14-19-10-4-5-11-20(19)16-21)27-23-13-7-6-12-22(23)25(29)26-17-18-8-2-1-3-9-18/h1-3,6-9,12-16H,4-5,10-11,17H2,(H,26,29)(H,27,28)
InChIKeyDPIFSZPIYVYULQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.75
Rot. Bonds5

About N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 100703574) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID100703574
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H24N2O2/c28-24(21-15-14-19-10-4-5-11-20(19)16-21)27-23-13-7-6-12-22(23)25(29)26-17-18-8-2-1-3-9-18/h1-3,6-9,12-16H,4-5,10-11,17H2,(H,26,29)(H,27,28)
InChIKeyDPIFSZPIYVYULQ-UHFFFAOYSA-N
XLogP4.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 120604023
4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid
CID 90656007
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 17492553
N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
N-(2-cyanophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23963756
N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9471660
N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 100620245
N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356400
N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 62499945

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 100703574) is N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is DPIFSZPIYVYULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-24(21-15-14-19-10-4-5-11-20(19)16-21)27-23-13-7-6-12-22(23)25(29)26-17-18-8-2-1-3-9-18/h1-3,6-9,12-16H,4-5,10-11,17H2,(H,26,29)(H,27,28).
What are the key properties of N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 100703574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).