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

C16H16BrFN2O — CID 81352967

IUPACN-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C16H16BrFN2O/c1-11(12-4-2-6-14(18)8-12)19-10-16(21)20-15-7-3-5-13(17)9-15/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyDCAWLHJQVUCPKI-NSHDSACASA-N
MW351.22 g/mol
LogP3.88
Rot. Bonds5

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

N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide (PubChem CID 81352967) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
PubChem CID81352967
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C16H16BrFN2O/c1-11(12-4-2-6-14(18)8-12)19-10-16(21)20-15-7-3-5-13(17)9-15/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyDCAWLHJQVUCPKI-NSHDSACASA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60694421
N-(2-chlorophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352559
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 94018256
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide
CID 115745368
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
CID 43566934
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42914238
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074865
N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074869
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914228

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide (CID 81352967) is N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)Nc1cccc(Br)c1)c1cccc(F)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide?
The InChIKey is DCAWLHJQVUCPKI-NSHDSACASA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-11(12-4-2-6-14(18)8-12)19-10-16(21)20-15-7-3-5-13(17)9-15/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide?
N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide has a molecular weight of 351.22 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 81352967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).