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

C16H16ClFN2O — CID 81347088

IUPACN-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O/c1-11(12-5-7-14(18)8-6-12)19-10-16(21)20-15-4-2-3-13(17)9-15/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyHMJJOBLTSSJPHN-NSHDSACASA-N
MW306.77 g/mol
LogP3.77
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide (PubChem CID 81347088) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
PubChem CID81347088
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O/c1-11(12-5-7-14(18)8-6-12)19-10-16(21)20-15-4-2-3-13(17)9-15/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyHMJJOBLTSSJPHN-NSHDSACASA-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

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9307739
2-(but-3-yn-2-ylamino)-N-(3-chlorophenyl)acetamide
CID 114416777
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
N-(3-chlorophenyl)-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396868

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide (CID 81347088) is N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide?
The InChIKey is HMJJOBLTSSJPHN-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-11(12-5-7-14(18)8-6-12)19-10-16(21)20-15-4-2-3-13(17)9-15/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide?
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]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 N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 81347088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).