4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide

C28H27N5O2 — CID 129035701

IUPAC4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(Nc3ccc(NC(=O)c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H27N5O2/c1-33(2)26-17-5-20(6-18-26)28(35)32-25-15-11-23(12-16-25)30-22-9-13-24(14-10-22)31-27(34)19-3-7-21(29)8-4-19/h3-18,30H,29H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyKCZOMDWRPNFFGA-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.58
Rot. Bonds7

About 4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide

4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide (PubChem CID 129035701) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
PubChem CID129035701
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(Nc3ccc(NC(=O)c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H27N5O2/c1-33(2)26-17-5-20(6-18-26)28(35)32-25-15-11-23(12-16-25)30-22-9-13-24(14-10-22)31-27(34)19-3-7-21(29)8-4-19/h3-18,30H,29H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyKCZOMDWRPNFFGA-UHFFFAOYSA-N
XLogP5.58
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 108527902
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
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CID 122527773
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
[4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate
CID 151717833
2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide
CID 141400871
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide?
The IUPAC name of 4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide (CID 129035701) is 4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide is CN(C)c1ccc(C(=O)Nc2ccc(Nc3ccc(NC(=O)c4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide?
The InChIKey is KCZOMDWRPNFFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-33(2)26-17-5-20(6-18-26)28(35)32-25-15-11-23(12-16-25)30-22-9-13-24(14-10-22)31-27(34)19-3-7-21(29)8-4-19/h3-18,30H,29H2,1-2H3,(H,31,34)(H,32,35).
What are the key properties of 4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide?
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide has a molecular weight of 465.56 g/mol, XLogP of 5.58, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide is sourced from PubChem (CID 129035701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).