2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide

C18H21ClN2O — CID 18085942

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CNC(C)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-13(15-8-4-3-5-9-15)21-18(22)12-20-14(2)16-10-6-7-11-17(16)19/h3-11,13-14,20H,12H2,1-2H3,(H,21,22)
InChIKeyFJJPGOFNCXVHSE-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.87
Rot. Bonds6

About 2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide

2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide (PubChem CID 18085942) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
PubChem CID18085942
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CNC(C)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-13(15-8-4-3-5-9-15)21-18(22)12-20-14(2)16-10-6-7-11-17(16)19/h3-11,13-14,20H,12H2,1-2H3,(H,21,22)
InChIKeyFJJPGOFNCXVHSE-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306527
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-pentan-3-ylacetamide
CID 81377630
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide
CID 47118036
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9306812
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8599057
2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide
CID 86918952

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide (CID 18085942) is 2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CNC(C)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is FJJPGOFNCXVHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13(15-8-4-3-5-9-15)21-18(22)12-20-14(2)16-10-6-7-11-17(16)19/h3-11,13-14,20H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide?
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 316.83 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 18085942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).