5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide

C32H25N3O3 — CID 154453800

IUPAC5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide
SMILESCc1cc(-c2cccc(C#N)c2)c(C(=O)Nc2ccc3c(c2)CCCC3=O)cc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C32H25N3O3/c1-19-14-28(23-5-2-4-20(15-23)18-33)29(17-27(19)21-8-10-22(11-9-21)31(34)37)32(38)35-25-12-13-26-24(16-25)6-3-7-30(26)36/h2,4-5,8-17H,3,6-7H2,1H3,(H2,34,37)(H,35,38)
InChIKeyRWBCSWLWSJKEJC-UHFFFAOYSA-N
MW499.57 g/mol
LogP6.07
Rot. Bonds5

About 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide

5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide (PubChem CID 154453800) has the molecular formula C32H25N3O3 and a molecular weight of 499.57 g/mol. Its IUPAC name is 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide.

Molecular Properties

Compound Name5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide
PubChem CID154453800
Molecular FormulaC32H25N3O3
Molecular Weight499.57 g/mol
Exact Mass499.19
IUPAC Name5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide
SMILESCc1cc(-c2cccc(C#N)c2)c(C(=O)Nc2ccc3c(c2)CCCC3=O)cc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C32H25N3O3/c1-19-14-28(23-5-2-4-20(15-23)18-33)29(17-27(19)21-8-10-22(11-9-21)31(34)37)32(38)35-25-12-13-26-24(16-25)6-3-7-30(26)36/h2,4-5,8-17H,3,6-7H2,1H3,(H2,34,37)(H,35,38)
InChIKeyRWBCSWLWSJKEJC-UHFFFAOYSA-N
XLogP6.07
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide
CID 154453798
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CID 90213286
3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2635737
4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide
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CID 62166375
N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide
CID 142065302
2-amino-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-3H-1-benzazepine-8-carboxamide
CID 156720389
N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 110864853
3-(4-cyanophenyl)-4-methylbenzamide
CID 154460991
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-2-hydrazinylbenzamide
CID 62248854
N-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide?
The IUPAC name of 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide (CID 154453800) is 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide.
What is the SMILES notation for 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide?
The canonical SMILES for 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide is Cc1cc(-c2cccc(C#N)c2)c(C(=O)Nc2ccc3c(c2)CCCC3=O)cc1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide?
The InChIKey is RWBCSWLWSJKEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O3/c1-19-14-28(23-5-2-4-20(15-23)18-33)29(17-27(19)21-8-10-22(11-9-21)31(34)37)32(38)35-25-12-13-26-24(16-25)6-3-7-30(26)36/h2,4-5,8-17H,3,6-7H2,1H3,(H2,34,37)(H,35,38).
What are the key properties of 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide?
5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide has a molecular weight of 499.57 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide is sourced from PubChem (CID 154453800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).