N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide

C30H24Cl2N2O2 — CID 67249813

IUPACN-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide
SMILESO=C(c1ccccc1)N(CCl)c1ccc(C=Cc2ccc(N(CCl)C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H24Cl2N2O2/c31-21-33(29(35)25-7-3-1-4-8-25)27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)34(22-32)30(36)26-9-5-2-6-10-26/h1-20H,21-22H2
InChIKeyGIQDYCZEVFYWBU-UHFFFAOYSA-N
MW515.44 g/mol
LogP7.54
Rot. Bonds8

About N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide

N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide (PubChem CID 67249813) has the molecular formula C30H24Cl2N2O2 and a molecular weight of 515.44 g/mol. Its IUPAC name is N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide
PubChem CID67249813
Molecular FormulaC30H24Cl2N2O2
Molecular Weight515.44 g/mol
Exact Mass514.12
IUPAC NameN-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide
SMILESO=C(c1ccccc1)N(CCl)c1ccc(C=Cc2ccc(N(CCl)C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H24Cl2N2O2/c31-21-33(29(35)25-7-3-1-4-8-25)27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)34(22-32)30(36)26-9-5-2-6-10-26/h1-20H,21-22H2
InChIKeyGIQDYCZEVFYWBU-UHFFFAOYSA-N
XLogP7.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.44
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-[benzoyl(chloromethyl)amino]phenyl]diazenyl]phenyl]-N-(chloromethyl)benzamide
CID 87325388
N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
CID 134109031
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
N-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90105203
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 6366857
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
4-[(Z)-2-phenylethenyl]benzoyl chloride
CID 12836536

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide?
The IUPAC name of N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide (CID 67249813) is N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide.
What is the SMILES notation for N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide?
The canonical SMILES for N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide is O=C(c1ccccc1)N(CCl)c1ccc(C=Cc2ccc(N(CCl)C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide?
The InChIKey is GIQDYCZEVFYWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2N2O2/c31-21-33(29(35)25-7-3-1-4-8-25)27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)34(22-32)30(36)26-9-5-2-6-10-26/h1-20H,21-22H2.
What are the key properties of N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide?
N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide has a molecular weight of 515.44 g/mol, XLogP of 7.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide is sourced from PubChem (CID 67249813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).