2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide

C14H21ClN4O — CID 63897211

IUPAC2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
SMILESCN1CCN(C)C(CNC(=O)c2cc(Cl)ccc2N)C1
InChIInChI=1S/C14H21ClN4O/c1-18-5-6-19(2)11(9-18)8-17-14(20)12-7-10(15)3-4-13(12)16/h3-4,7,11H,5-6,8-9,16H2,1-2H3,(H,17,20)
InChIKeyXTMUNOGMRDVXCC-UHFFFAOYSA-N
MW296.80 g/mol
LogP0.90
Rot. Bonds3

About 2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide

2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide (PubChem CID 63897211) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
PubChem CID63897211
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
SMILESCN1CCN(C)C(CNC(=O)c2cc(Cl)ccc2N)C1
InChIInChI=1S/C14H21ClN4O/c1-18-5-6-19(2)11(9-18)8-17-14(20)12-7-10(15)3-4-13(12)16/h3-4,7,11H,5-6,8-9,16H2,1-2H3,(H,17,20)
InChIKeyXTMUNOGMRDVXCC-UHFFFAOYSA-N
XLogP0.90
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 50.90
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

2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
CID 63897503
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5-difluorobenzamide
CID 63884569
3-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,5-difluorobenzamide
CID 107121092
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
7-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 100881292
methyl 2-amino-5-[(1,4-dimethylpiperazin-2-yl)methylamino]benzoate
CID 63899023
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 82829349
3-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]thiophene-2-carboxamide
CID 129486680
2-amino-5-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 55013606
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917543
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide
CID 131902065

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide?
The IUPAC name of 2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide (CID 63897211) is 2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide?
The canonical SMILES for 2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide is CN1CCN(C)C(CNC(=O)c2cc(Cl)ccc2N)C1.
What is the InChIKey of 2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide?
The InChIKey is XTMUNOGMRDVXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-18-5-6-19(2)11(9-18)8-17-14(20)12-7-10(15)3-4-13(12)16/h3-4,7,11H,5-6,8-9,16H2,1-2H3,(H,17,20).
What are the key properties of 2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide?
2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide has a molecular weight of 296.80 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide is sourced from PubChem (CID 63897211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).