N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide

C17H19ClN2O — CID 66386038

IUPACN-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-12(14-7-9-16(18)10-8-14)19-11-15-5-3-4-6-17(15)20-13(2)21/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyOBMOXYFURGDDKK-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.15
Rot. Bonds5

About N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide

N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide (PubChem CID 66386038) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide
PubChem CID66386038
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-12(14-7-9-16(18)10-8-14)19-11-15-5-3-4-6-17(15)20-13(2)21/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyOBMOXYFURGDDKK-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 81351725
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
N-[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]acetamide
CID 66417848
N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
CID 81369235
N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336592
2-[(2-acetamidophenyl)methylamino]-3-methylbutanoic acid
CID 66419829
N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide
CID 106282108
1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 43221556
2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile
CID 60693747
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
CID 81356331
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
N-[2-[(2,5-dichloroanilino)methyl]phenyl]acetamide
CID 66387224

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide (CID 66386038) is N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide?
The InChIKey is OBMOXYFURGDDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(14-7-9-16(18)10-8-14)19-11-15-5-3-4-6-17(15)20-13(2)21/h3-10,12,19H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide?
N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide has a molecular weight of 302.81 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 66386038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).