2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide

C16H16ClFN2O — CID 9336360

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
SMILESC[C@@H](NCC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-11(12-5-7-13(17)8-6-12)19-10-16(21)20-15-4-2-3-14(18)9-15/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyPLUWXWRYWLDIHD-LLVKDONJSA-N
MW306.77 g/mol
LogP3.77
Rot. Bonds5

About 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide (PubChem CID 9336360) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
PubChem CID9336360
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
SMILESC[C@@H](NCC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-11(12-5-7-13(17)8-6-12)19-10-16(21)20-15-4-2-3-14(18)9-15/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyPLUWXWRYWLDIHD-LLVKDONJSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 42913912
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium
CID 9336359
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8637200
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9335719
N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352967
N-(4-chloro-2-fluorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336002

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide (CID 9336360) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide is C[C@@H](NCC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is PLUWXWRYWLDIHD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-11(12-5-7-13(17)8-6-12)19-10-16(21)20-15-4-2-3-14(18)9-15/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide?
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 306.77 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9336360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).