1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide

C32H24N2O4 — CID 3090014

IUPAC1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C32H24N2O4/c35-31(33-25-14-18-29(19-15-25)37-27-10-3-1-4-11-27)23-8-7-9-24(22-23)32(36)34-26-16-20-30(21-17-26)38-28-12-5-2-6-13-28/h1-22H,(H,33,35)(H,34,36)
InChIKeyMDLDFYRFWPNAPA-UHFFFAOYSA-N
MW500.55 g/mol
LogP7.78
Rot. Bonds8

About 1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide

1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 3090014) has the molecular formula C32H24N2O4 and a molecular weight of 500.55 g/mol. Its IUPAC name is 1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID3090014
Molecular FormulaC32H24N2O4
Molecular Weight500.55 g/mol
Exact Mass500.17
IUPAC Name1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C32H24N2O4/c35-31(33-25-14-18-29(19-15-25)37-27-10-3-1-4-11-27)23-8-7-9-24(22-23)32(36)34-26-16-20-30(21-17-26)38-28-12-5-2-6-13-28/h1-22H,(H,33,35)(H,34,36)
InChIKeyMDLDFYRFWPNAPA-UHFFFAOYSA-N
XLogP7.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051017
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
CID 3108222
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
3-(2-ethoxyethoxy)-N-(4-phenoxyphenyl)benzamide
CID 17139540

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide (CID 3090014) is 1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is MDLDFYRFWPNAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O4/c35-31(33-25-14-18-29(19-15-25)37-27-10-3-1-4-11-27)23-8-7-9-24(22-23)32(36)34-26-16-20-30(21-17-26)38-28-12-5-2-6-13-28/h1-22H,(H,33,35)(H,34,36).
What are the key properties of 1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 500.55 g/mol, XLogP of 7.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 3090014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).