4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide

C14H11BrCl2N2O — CID 28993465

IUPAC4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)cc1
InChIInChI=1S/C14H11BrCl2N2O/c15-10-5-11(16)13(12(17)6-10)19-14(20)9-3-1-8(7-18)2-4-9/h1-6H,7,18H2,(H,19,20)
InChIKeyJONSLCZNNVCDRA-UHFFFAOYSA-N
MW374.07 g/mol
LogP4.47
Rot. Bonds3

About 4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide

4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide (PubChem CID 28993465) has the molecular formula C14H11BrCl2N2O and a molecular weight of 374.07 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide
PubChem CID28993465
Molecular FormulaC14H11BrCl2N2O
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)cc1
InChIInChI=1S/C14H11BrCl2N2O/c15-10-5-11(16)13(12(17)6-10)19-14(20)9-3-1-8(7-18)2-4-9/h1-6H,7,18H2,(H,19,20)
InChIKeyJONSLCZNNVCDRA-UHFFFAOYSA-N
XLogP4.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.07
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide
CID 102850859
N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 60651944
4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65468967
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide
CID 104723637
N-(4-bromo-2,6-dichlorophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62244012
4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
2-amino-N-(4-bromo-2,6-dichlorophenyl)-6-chloropyridine-4-carboxamide
CID 62155953
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
4-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzamide
CID 107625383
2-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66377996

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide (CID 28993465) is 4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide is NCc1ccc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide?
The InChIKey is JONSLCZNNVCDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O/c15-10-5-11(16)13(12(17)6-10)19-14(20)9-3-1-8(7-18)2-4-9/h1-6H,7,18H2,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide?
4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide has a molecular weight of 374.07 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide is sourced from PubChem (CID 28993465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).