N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide

C16H16Cl2N2O — CID 62502829

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
SMILESNCCc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c17-13-5-6-14(15(18)9-13)16(21)20-10-12-3-1-11(2-4-12)7-8-19/h1-6,9H,7-8,10,19H2,(H,20,21)
InChIKeyYYKYEQVHIYNNKS-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.42
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide

N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide (PubChem CID 62502829) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
PubChem CID62502829
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
SMILESNCCc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c17-13-5-6-14(15(18)9-13)16(21)20-10-12-3-1-11(2-4-12)7-8-19/h1-6,9H,7-8,10,19H2,(H,20,21)
InChIKeyYYKYEQVHIYNNKS-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide
CID 66482036
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
CID 51289387
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichlorobenzamide
CID 673796
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
CID 2192424

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide (CID 62502829) is N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide is NCCc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide?
The InChIKey is YYKYEQVHIYNNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-13-5-6-14(15(18)9-13)16(21)20-10-12-3-1-11(2-4-12)7-8-19/h1-6,9H,7-8,10,19H2,(H,20,21).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide has a molecular weight of 323.22 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 62502829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).