N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide

C15H14AsClN2O3 — CID 87759470

IUPACN-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide
SMILESC[As](C)c1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H14AsClN2O3/c1-16(2)11-5-3-4-10(8-11)15(20)18-12-6-7-13(17)14(9-12)19(21)22/h3-9H,1-2H3,(H,18,20)
InChIKeyLNMQIWHURSMBOO-UHFFFAOYSA-N
MW380.66 g/mol
LogP3.46
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide

N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide (PubChem CID 87759470) has the molecular formula C15H14AsClN2O3 and a molecular weight of 380.66 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide
PubChem CID87759470
Molecular FormulaC15H14AsClN2O3
Molecular Weight380.66 g/mol
Exact Mass379.99
IUPAC NameN-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide
SMILESC[As](C)c1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H14AsClN2O3/c1-16(2)11-5-3-4-10(8-11)15(20)18-12-6-7-13(17)14(9-12)19(21)22/h3-9H,1-2H3,(H,18,20)
InChIKeyLNMQIWHURSMBOO-UHFFFAOYSA-N
XLogP3.46
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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

4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide
CID 575351
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
N-[4-[(4-chloro-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60527960
4-chloro-N-[3-[(1R)-1-hydroxyethyl]phenyl]-3-nitrobenzamide
CID 100803593
3-(butylsulfamoyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 17226614
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide
CID 768178
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-4-chloro-3-nitrobenzamide
CID 17111352
4-chloro-N-[3-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 60630033

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide (CID 87759470) is N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide is C[As](C)c1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide?
The InChIKey is LNMQIWHURSMBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14AsClN2O3/c1-16(2)11-5-3-4-10(8-11)15(20)18-12-6-7-13(17)14(9-12)19(21)22/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide?
N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide has a molecular weight of 380.66 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide is sourced from PubChem (CID 87759470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).