[4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide

C28H25ClN4O4 — CID 70189284

IUPAC[4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccc(N)cc2)cc1.Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14N2O3.C13H11ClN2O/c1-10(18)20-14-8-2-11(3-9-14)15(19)17-13-6-4-12(16)5-7-13;14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h2-9H,16H2,1H3,(H,17,19);1-8H,15H2,(H,16,17)
InChIKeyCLCIFWIOGBOUCY-UHFFFAOYSA-N
MW516.99 g/mol
LogP5.62
Rot. Bonds5

About [4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide

[4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide (PubChem CID 70189284) has the molecular formula C28H25ClN4O4 and a molecular weight of 516.99 g/mol. Its IUPAC name is [4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide.

Molecular Properties

Compound Name[4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide
PubChem CID70189284
Molecular FormulaC28H25ClN4O4
Molecular Weight516.99 g/mol
Exact Mass516.16
IUPAC Name[4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccc(N)cc2)cc1.Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14N2O3.C13H11ClN2O/c1-10(18)20-14-8-2-11(3-9-14)15(19)17-13-6-4-12(16)5-7-13;14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h2-9H,16H2,1H3,(H,17,19);1-8H,15H2,(H,16,17)
InChIKeyCLCIFWIOGBOUCY-UHFFFAOYSA-N
XLogP5.62
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.99
LogP ≤ 55.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-benzamidophenyl) acetate
CID 34734144
[4-[[4-[[4-[(4-acetyloxybenzoyl)amino]phenyl]methyl]phenyl]carbamoyl]phenyl] acetate
CID 10324446
O-[4-[(4-chlorophenyl)carbamoyl]phenyl] N-(4-chlorophenyl)carbamothioate
CID 4623956
[4-[(4-chlorophenyl)carbamoyl]phenyl] 4-tert-butylbenzoate
CID 19181144
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
(4-chlorophenyl) acetate
CID 13410
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(3,5-dimethylphenoxy)propanoate
CID 53266246
(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663936
[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 3881325
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017

Frequently Asked Questions

What is the IUPAC name of [4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide?
The IUPAC name of [4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide (CID 70189284) is [4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide.
What is the SMILES notation for [4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide?
The canonical SMILES for [4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide is CC(=O)Oc1ccc(C(=O)Nc2ccc(N)cc2)cc1.Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide?
The InChIKey is CLCIFWIOGBOUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3.C13H11ClN2O/c1-10(18)20-14-8-2-11(3-9-14)15(19)17-13-6-4-12(16)5-7-13;14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h2-9H,16H2,1H3,(H,17,19);1-8H,15H2,(H,16,17).
What are the key properties of [4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide?
[4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide has a molecular weight of 516.99 g/mol, XLogP of 5.62, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide is sourced from PubChem (CID 70189284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).