N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide

C28H23N3O2 — CID 73388672

IUPACN-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide
SMILESNc1ccccc1NC(=O)/C=C/c1cccc(-c2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C28H23N3O2/c29-25-11-4-5-12-26(25)31-27(32)18-13-20-7-6-10-23(19-20)21-14-16-24(17-15-21)30-28(33)22-8-2-1-3-9-22/h1-19H,29H2,(H,30,33)(H,31,32)/b18-13+
InChIKeyAOHIDYVNMGMMGA-QGOAFFKASA-N
MW433.51 g/mol
LogP5.84
Rot. Bonds6

About N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide

N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide (PubChem CID 73388672) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide
PubChem CID73388672
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC NameN-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide
SMILESNc1ccccc1NC(=O)/C=C/c1cccc(-c2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C28H23N3O2/c29-25-11-4-5-12-26(25)31-27(32)18-13-20-7-6-10-23(19-20)21-14-16-24(17-15-21)30-28(33)22-8-2-1-3-9-22/h1-19H,29H2,(H,30,33)(H,31,32)/b18-13+
InChIKeyAOHIDYVNMGMMGA-QGOAFFKASA-N
XLogP5.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-4-methylbenzamide
CID 45255726
(E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide
CID 139368358
N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide
CID 38924103
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
(E)-3-[1-(2-acetamido-4-phenylphenyl)sulfonylpyrrol-3-yl]-N-(2-aminophenyl)prop-2-enamide
CID 68640860
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
4-[[2-(3-phenylprop-2-enoylamino)benzoyl]amino]benzoic acid
CID 1230925
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide?
The IUPAC name of N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide (CID 73388672) is N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide?
The canonical SMILES for N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide is Nc1ccccc1NC(=O)/C=C/c1cccc(-c2ccc(NC(=O)c3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide?
The InChIKey is AOHIDYVNMGMMGA-QGOAFFKASA-N. The full InChI is InChI=1S/C28H23N3O2/c29-25-11-4-5-12-26(25)31-27(32)18-13-20-7-6-10-23(19-20)21-14-16-24(17-15-21)30-28(33)22-8-2-1-3-9-22/h1-19H,29H2,(H,30,33)(H,31,32)/b18-13+.
What are the key properties of N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide?
N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide has a molecular weight of 433.51 g/mol, XLogP of 5.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide is sourced from PubChem (CID 73388672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).