1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide)

C32H34Br2N4O4 — CID 139078080

IUPAC1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide)
SMILESCC(=O)N(C)C.CC(=O)N(C)C.O=C(Nc1ccc(Br)cc1)c1ccc(C(=O)Nc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C24H16Br2N2O2.2C4H9NO/c25-15-5-9-17(10-6-15)27-23(29)21-13-14-22(20-4-2-1-3-19(20)21)24(30)28-18-11-7-16(26)8-12-18;2*1-4(6)5(2)3/h1-14H,(H,27,29)(H,28,30);2*1-3H3
InChIKeySBJTTYYKUPCLCG-UHFFFAOYSA-N
MW698.46 g/mol
LogP7.06
Rot. Bonds4

About 1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide)

1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide) (PubChem CID 139078080) has the molecular formula C32H34Br2N4O4 and a molecular weight of 698.46 g/mol. Its IUPAC name is 1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide).

Molecular Properties

Compound Name1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide)
PubChem CID139078080
Molecular FormulaC32H34Br2N4O4
Molecular Weight698.46 g/mol
Exact Mass696.09
IUPAC Name1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide)
SMILESCC(=O)N(C)C.CC(=O)N(C)C.O=C(Nc1ccc(Br)cc1)c1ccc(C(=O)Nc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C24H16Br2N2O2.2C4H9NO/c25-15-5-9-17(10-6-15)27-23(29)21-13-14-22(20-4-2-1-3-19(20)21)24(30)28-18-11-7-16(26)8-12-18;2*1-4(6)5(2)3/h1-14H,(H,27,29)(H,28,30);2*1-3H3
InChIKeySBJTTYYKUPCLCG-UHFFFAOYSA-N
XLogP7.06
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.46
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412
1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
CID 67816317
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
5-bromo-N-[4-(2-methylpropanoylamino)phenyl]naphthalene-1-carboxamide
CID 1298059
2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide
CID 79713794
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
N-(4-bromophenyl)-2-(2-phenylethynyl)benzamide
CID 135017964
3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
CID 47212938
N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide
CID 86575073
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide)?
The IUPAC name of 1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide) (CID 139078080) is 1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide).
What is the SMILES notation for 1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide)?
The canonical SMILES for 1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide) is CC(=O)N(C)C.CC(=O)N(C)C.O=C(Nc1ccc(Br)cc1)c1ccc(C(=O)Nc2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of 1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide)?
The InChIKey is SBJTTYYKUPCLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2N2O2.2C4H9NO/c25-15-5-9-17(10-6-15)27-23(29)21-13-14-22(20-4-2-1-3-19(20)21)24(30)28-18-11-7-16(26)8-12-18;2*1-4(6)5(2)3/h1-14H,(H,27,29)(H,28,30);2*1-3H3.
What are the key properties of 1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide)?
1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide) has a molecular weight of 698.46 g/mol, XLogP of 7.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide) is sourced from PubChem (CID 139078080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).