3,5-dibenzamido-N-phenylbenzamide

C27H21N3O3 — CID 17340966

IUPAC3,5-dibenzamido-N-phenylbenzamide
SMILESO=C(Nc1cc(NC(=O)c2ccccc2)cc(C(=O)Nc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C27H21N3O3/c31-25(19-10-4-1-5-11-19)29-23-16-21(27(33)28-22-14-8-3-9-15-22)17-24(18-23)30-26(32)20-12-6-2-7-13-20/h1-18H,(H,28,33)(H,29,31)(H,30,32)
InChIKeyDSTUPYREYGSCBG-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.44
Rot. Bonds6

About 3,5-dibenzamido-N-phenylbenzamide

3,5-dibenzamido-N-phenylbenzamide (PubChem CID 17340966) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3,5-dibenzamido-N-phenylbenzamide.

Molecular Properties

Compound Name3,5-dibenzamido-N-phenylbenzamide
PubChem CID17340966
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC Name3,5-dibenzamido-N-phenylbenzamide
SMILESO=C(Nc1cc(NC(=O)c2ccccc2)cc(C(=O)Nc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C27H21N3O3/c31-25(19-10-4-1-5-11-19)29-23-16-21(27(33)28-22-14-8-3-9-15-22)17-24(18-23)30-26(32)20-12-6-2-7-13-20/h1-18H,(H,28,33)(H,29,31)(H,30,32)
InChIKeyDSTUPYREYGSCBG-UHFFFAOYSA-N
XLogP5.44
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

molecular hydrogen;N-phenylbenzamide
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2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
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(4-benzamidophenyl)carbamic acid
CID 18543096
[4-[[3,5-bis[(4-phenoxycarbonyloxybenzoyl)amino]benzoyl]amino]phenyl] phenyl carbonate
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5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 144544324
N-[4-(phenylcarbamothioylamino)phenyl]benzamide
CID 17235348
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-[4-(4-phenylphenyl)phenyl]benzamide
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N-[4-(3-acetylanilino)phenyl]benzamide
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4-(phenylcarbamoyl)benzoate
CID 158012761

Frequently Asked Questions

What is the IUPAC name of 3,5-dibenzamido-N-phenylbenzamide?
The IUPAC name of 3,5-dibenzamido-N-phenylbenzamide (CID 17340966) is 3,5-dibenzamido-N-phenylbenzamide.
What is the SMILES notation for 3,5-dibenzamido-N-phenylbenzamide?
The canonical SMILES for 3,5-dibenzamido-N-phenylbenzamide is O=C(Nc1cc(NC(=O)c2ccccc2)cc(C(=O)Nc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 3,5-dibenzamido-N-phenylbenzamide?
The InChIKey is DSTUPYREYGSCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c31-25(19-10-4-1-5-11-19)29-23-16-21(27(33)28-22-14-8-3-9-15-22)17-24(18-23)30-26(32)20-12-6-2-7-13-20/h1-18H,(H,28,33)(H,29,31)(H,30,32).
What are the key properties of 3,5-dibenzamido-N-phenylbenzamide?
3,5-dibenzamido-N-phenylbenzamide has a molecular weight of 435.48 g/mol, XLogP of 5.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibenzamido-N-phenylbenzamide is sourced from PubChem (CID 17340966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).