N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide

C19H23ClN4O — CID 50881129

IUPACN-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
SMILESCCN1CCN(c2cc(NC(=O)c3ccccc3)c(Cl)cc2N)CC1
InChIInChI=1S/C19H23ClN4O/c1-2-23-8-10-24(11-9-23)18-13-17(15(20)12-16(18)21)22-19(25)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11,21H2,1H3,(H,22,25)
InChIKeyNYMPULIMEHLFKG-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.32
Rot. Bonds4

About N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide

N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide (PubChem CID 50881129) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
PubChem CID50881129
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
SMILESCCN1CCN(c2cc(NC(=O)c3ccccc3)c(Cl)cc2N)CC1
InChIInChI=1S/C19H23ClN4O/c1-2-23-8-10-24(11-9-23)18-13-17(15(20)12-16(18)21)22-19(25)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11,21H2,1H3,(H,22,25)
InChIKeyNYMPULIMEHLFKG-UHFFFAOYSA-N
XLogP3.32
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide
CID 91683990
N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-4-tert-butylbenzamide
CID 50881655
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
CID 50881210
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide
CID 91676128
N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide
CID 50881780
2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide
CID 50881625
N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 50881482
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide
CID 50881412
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide
CID 50881563

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide (CID 50881129) is N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide is CCN1CCN(c2cc(NC(=O)c3ccccc3)c(Cl)cc2N)CC1.
What is the InChIKey of N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is NYMPULIMEHLFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-2-23-8-10-24(11-9-23)18-13-17(15(20)12-16(18)21)22-19(25)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11,21H2,1H3,(H,22,25).
What are the key properties of N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide?
N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 358.87 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 50881129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).