N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide

C19H20ClN3O2 — CID 169053126

IUPACN-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide
SMILESN#Cc1cc(CCNCCCO)c(Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C19H20ClN3O2/c20-17-12-18(23-19(25)14-5-2-1-3-6-14)16(13-21)11-15(17)7-9-22-8-4-10-24/h1-3,5-6,11-12,22,24H,4,7-10H2,(H,23,25)
InChIKeyMYEKBHILVYVFQR-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.98
Rot. Bonds8

About N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide

N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide (PubChem CID 169053126) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide
PubChem CID169053126
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide
SMILESN#Cc1cc(CCNCCCO)c(Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C19H20ClN3O2/c20-17-12-18(23-19(25)14-5-2-1-3-6-14)16(13-21)11-15(17)7-9-22-8-4-10-24/h1-3,5-6,11-12,22,24H,4,7-10H2,(H,23,25)
InChIKeyMYEKBHILVYVFQR-UHFFFAOYSA-N
XLogP2.98
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-cyano-1,3-benzodioxol-5-yl)benzamide
CID 175888730
2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid
CID 118972569
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
N-(3-chloro-2-cyanophenyl)benzamide
CID 102229158
N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide
CID 68854486
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
N-(5-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
N-(2-chlorophenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738882
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide
CID 16560997

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide?
The IUPAC name of N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide (CID 169053126) is N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide?
The canonical SMILES for N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide is N#Cc1cc(CCNCCCO)c(Cl)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide?
The InChIKey is MYEKBHILVYVFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-17-12-18(23-19(25)14-5-2-1-3-6-14)16(13-21)11-15(17)7-9-22-8-4-10-24/h1-3,5-6,11-12,22,24H,4,7-10H2,(H,23,25).
What are the key properties of N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide?
N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide has a molecular weight of 357.84 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 169053126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).