2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide

C14H12Cl2N4O2 — CID 158472386

IUPAC2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide
SMILESN#Cc1ccc(Cl)cc1N.Nc1cc(Cl)ccc1C(=O)NO
InChIInChI=1S/C7H7ClN2O2.C7H5ClN2/c8-4-1-2-5(6(9)3-4)7(11)10-12;8-6-2-1-5(4-9)7(10)3-6/h1-3,12H,9H2,(H,10,11);1-3H,10H2
InChIKeyHGMXCDLOALBOPI-UHFFFAOYSA-N
MW339.18 g/mol
LogP2.84
Rot. Bonds1

About 2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide

2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide (PubChem CID 158472386) has the molecular formula C14H12Cl2N4O2 and a molecular weight of 339.18 g/mol. Its IUPAC name is 2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide
PubChem CID158472386
Molecular FormulaC14H12Cl2N4O2
Molecular Weight339.18 g/mol
Exact Mass338.03
IUPAC Name2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide
SMILESN#Cc1ccc(Cl)cc1N.Nc1cc(Cl)ccc1C(=O)NO
InChIInChI=1S/C7H7ClN2O2.C7H5ClN2/c8-4-1-2-5(6(9)3-4)7(11)10-12;8-6-2-1-5(4-9)7(10)3-6/h1-3,12H,9H2,(H,10,11);1-3H,10H2
InChIKeyHGMXCDLOALBOPI-UHFFFAOYSA-N
XLogP2.84
TPSA125.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
CID 107786836
2-amino-4-[3-amino-4-(hydroxycarbamoyl)phenyl]-N-hydroxybenzamide
CID 167363530
N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide
CID 107986297
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
CID 61471749
2-amino-4-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 55179032
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504
2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
CID 63110574

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide?
The IUPAC name of 2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide (CID 158472386) is 2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide.
What is the SMILES notation for 2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide?
The canonical SMILES for 2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide is N#Cc1ccc(Cl)cc1N.Nc1cc(Cl)ccc1C(=O)NO.
What is the InChIKey of 2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide?
The InChIKey is HGMXCDLOALBOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2.C7H5ClN2/c8-4-1-2-5(6(9)3-4)7(11)10-12;8-6-2-1-5(4-9)7(10)3-6/h1-3,12H,9H2,(H,10,11);1-3H,10H2.
What are the key properties of 2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide?
2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide has a molecular weight of 339.18 g/mol, XLogP of 2.84, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide is sourced from PubChem (CID 158472386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).