N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide

C14H10ClN3O2 — CID 43548896

IUPACN-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide
SMILESN#Cc1cc(N)ccc1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H10ClN3O2/c15-9-1-4-13(19)11(6-9)14(20)18-12-3-2-10(17)5-8(12)7-16/h1-6,19H,17H2,(H,18,20)
InChIKeyHOGRFFSBXKXFGY-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.75
Rot. Bonds2

About N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide

N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide (PubChem CID 43548896) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide
PubChem CID43548896
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC NameN-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide
SMILESN#Cc1cc(N)ccc1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H10ClN3O2/c15-9-1-4-13(19)11(6-9)14(20)18-12-3-2-10(17)5-8(12)7-16/h1-6,19H,17H2,(H,18,20)
InChIKeyHOGRFFSBXKXFGY-UHFFFAOYSA-N
XLogP2.75
TPSA99.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide
CID 107986297
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107652968
N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
CID 63194249
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide
CID 90451435
N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722029
2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 103739886
N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669159

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide (CID 43548896) is N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide is N#Cc1cc(N)ccc1NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide?
The InChIKey is HOGRFFSBXKXFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-9-1-4-13(19)11(6-9)14(20)18-12-3-2-10(17)5-8(12)7-16/h1-6,19H,17H2,(H,18,20).
What are the key properties of N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide?
N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide has a molecular weight of 287.71 g/mol, XLogP of 2.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 43548896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).