N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide

C19H23ClN4O — CID 91676128

IUPACN-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2N)CC1
InChIInChI=1S/C19H23ClN4O/c1-2-23-9-11-24(12-10-23)18-8-7-14(13-17(18)21)22-19(25)15-5-3-4-6-16(15)20/h3-8,13H,2,9-12,21H2,1H3,(H,22,25)
InChIKeyVGKKCJIQEXBQSH-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.32
Rot. Bonds4

About N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide

N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide (PubChem CID 91676128) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide
PubChem CID91676128
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2N)CC1
InChIInChI=1S/C19H23ClN4O/c1-2-23-9-11-24(12-10-23)18-8-7-14(13-17(18)21)22-19(25)15-5-3-4-6-16(15)20/h3-8,13H,2,9-12,21H2,1H3,(H,22,25)
InChIKeyVGKKCJIQEXBQSH-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 91676100
N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91676429
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 46830361
N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 3879741
N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91676435
N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 50881129
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 969199
2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide
CID 50881625
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-propan-2-ylbenzamide
CID 110167007
5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 2949855
N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 29053524
2-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzamide
CID 27639248

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide?
The IUPAC name of N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide (CID 91676128) is N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide is CCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2N)CC1.
What is the InChIKey of N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide?
The InChIKey is VGKKCJIQEXBQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-2-23-9-11-24(12-10-23)18-8-7-14(13-17(18)21)22-19(25)15-5-3-4-6-16(15)20/h3-8,13H,2,9-12,21H2,1H3,(H,22,25).
What are the key properties of N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide?
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide 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-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide is sourced from PubChem (CID 91676128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).