2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide

C16H15BrClFN2O — CID 42914150

IUPAC2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C16H15BrClFN2O/c1-10(12-4-2-3-5-13(12)17)20-9-16(22)21-11-6-7-15(19)14(18)8-11/h2-8,10,20H,9H2,1H3,(H,21,22)
InChIKeySXZJEAIOYBAHNL-UHFFFAOYSA-N
MW385.66 g/mol
LogP4.53
Rot. Bonds5

About 2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide

2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 42914150) has the molecular formula C16H15BrClFN2O and a molecular weight of 385.66 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID42914150
Molecular FormulaC16H15BrClFN2O
Molecular Weight385.66 g/mol
Exact Mass384.00
IUPAC Name2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C16H15BrClFN2O/c1-10(12-4-2-3-5-13(12)17)20-9-16(22)21-11-6-7-15(19)14(18)8-11/h2-8,10,20H,9H2,1H3,(H,21,22)
InChIKeySXZJEAIOYBAHNL-UHFFFAOYSA-N
XLogP4.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.66
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 81378696
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 81378359
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 81378691
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9307246
N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823258
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254240
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377778
N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306583
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306824

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide (CID 42914150) is 2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide is CC(NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is SXZJEAIOYBAHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFN2O/c1-10(12-4-2-3-5-13(12)17)20-9-16(22)21-11-6-7-15(19)14(18)8-11/h2-8,10,20H,9H2,1H3,(H,21,22).
What are the key properties of 2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 385.66 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 42914150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).