4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride

C19H15Cl2N3O3 — CID 173240333

IUPAC4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride
SMILESCl.NC(=O)c1cc([N+](=O)[O-])c(-c2ccc(-c3ccc(N)cc3)cc2)cc1Cl
InChIInChI=1S/C19H14ClN3O3.ClH/c20-17-9-15(18(23(25)26)10-16(17)19(22)24)13-3-1-11(2-4-13)12-5-7-14(21)8-6-12;/h1-10H,21H2,(H2,22,24);1H
InChIKeyCDACXAOJLAWXPJ-UHFFFAOYSA-N
MW404.25 g/mol
LogP4.69
Rot. Bonds4

About 4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride

4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride (PubChem CID 173240333) has the molecular formula C19H15Cl2N3O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is 4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride
PubChem CID173240333
Molecular FormulaC19H15Cl2N3O3
Molecular Weight404.25 g/mol
Exact Mass403.05
IUPAC Name4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride
SMILESCl.NC(=O)c1cc([N+](=O)[O-])c(-c2ccc(-c3ccc(N)cc3)cc2)cc1Cl
InChIInChI=1S/C19H14ClN3O3.ClH/c20-17-9-15(18(23(25)26)10-16(17)19(22)24)13-3-1-11(2-4-13)12-5-7-14(21)8-6-12;/h1-10H,21H2,(H2,22,24);1H
InChIKeyCDACXAOJLAWXPJ-UHFFFAOYSA-N
XLogP4.69
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
5-amino-2-(4-aminophenyl)benzamide
CID 68787804
4-amino-5-nitrobenzene-1,2-dicarboxamide
CID 146673880
2-chloro-5-iodo-4-nitrobenzamide
CID 171004893
4-(4-aminophenyl)-2,6-dinitroaniline;hydrochloride
CID 172733721
4,5-dichloro-2-nitrobenzamide
CID 69073651
2-amino-4,5-dinitrobenzamide
CID 119012907
3-nitro-4-phenylaniline
CID 19386766
2-chloro-4-(2-nitrophenyl)benzoic acid
CID 70699639
2-chloro-4-(2-methylpropoxy)-5-nitrobenzamide
CID 112756919
4-chloro-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
4-chloro-5-iodo-2-nitrobenzamide
CID 171004894

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride?
The IUPAC name of 4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride (CID 173240333) is 4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride.
What is the SMILES notation for 4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride?
The canonical SMILES for 4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride is Cl.NC(=O)c1cc([N+](=O)[O-])c(-c2ccc(-c3ccc(N)cc3)cc2)cc1Cl.
What is the InChIKey of 4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride?
The InChIKey is CDACXAOJLAWXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3.ClH/c20-17-9-15(18(23(25)26)10-16(17)19(22)24)13-3-1-11(2-4-13)12-5-7-14(21)8-6-12;/h1-10H,21H2,(H2,22,24);1H.
What are the key properties of 4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride?
4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride has a molecular weight of 404.25 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride is sourced from PubChem (CID 173240333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).