4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide

C16H18ClN3O — CID 43710258

IUPAC4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H18ClN3O/c1-20(2)15-8-7-13(17)9-14(15)19-16(21)12-5-3-11(10-18)4-6-12/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyPZAOWOPYKRBXTF-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.12
Rot. Bonds4

About 4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide

4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide (PubChem CID 43710258) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
PubChem CID43710258
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H18ClN3O/c1-20(2)15-8-7-13(17)9-14(15)19-16(21)12-5-3-11(10-18)4-6-12/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyPZAOWOPYKRBXTF-UHFFFAOYSA-N
XLogP3.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
4-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzamide
CID 107625383
N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
CID 55336201
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60630528
2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 66377445
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide
CID 113307543
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126
N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide
CID 55337128
N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide
CID 55369232

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide (CID 43710258) is 4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide is CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide?
The InChIKey is PZAOWOPYKRBXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(2)15-8-7-13(17)9-14(15)19-16(21)12-5-3-11(10-18)4-6-12/h3-9H,10,18H2,1-2H3,(H,19,21).
What are the key properties of 4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide?
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide has a molecular weight of 303.79 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 43710258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).