N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide

C16H17ClN2O — CID 62502652

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
SMILESNCCc1ccc(CNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c17-15-4-2-1-3-14(15)16(20)19-11-13-7-5-12(6-8-13)9-10-18/h1-8H,9-11,18H2,(H,19,20)
InChIKeyRKMILNIMQLAXRV-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.77
Rot. Bonds5

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

N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide (PubChem CID 62502652) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
PubChem CID62502652
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
SMILESNCCc1ccc(CNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c17-15-4-2-1-3-14(15)16(20)19-11-13-7-5-12(6-8-13)9-10-18/h1-8H,9-11,18H2,(H,19,20)
InChIKeyRKMILNIMQLAXRV-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
CID 62500805
N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide
CID 66482036
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830096
N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2-hydroxyphenyl)acetamide
CID 80722829
3-chloro-N-[(4-chlorophenyl)methyl]-2-nitrobenzamide
CID 79818120
N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide
CID 115736978
2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103308

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide (CID 62502652) is N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide is NCCc1ccc(CNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide?
The InChIKey is RKMILNIMQLAXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-15-4-2-1-3-14(15)16(20)19-11-13-7-5-12(6-8-13)9-10-18/h1-8H,9-11,18H2,(H,19,20).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide has a molecular weight of 288.78 g/mol, XLogP of 2.77, 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-chlorobenzamide is sourced from PubChem (CID 62502652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).