N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide

C15H13BrFNO — CID 97041570

IUPACN-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
SMILESCC(=O)N[C@@H](c1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C15H13BrFNO/c1-10(19)18-15(11-5-7-13(16)8-6-11)12-3-2-4-14(17)9-12/h2-9,15H,1H3,(H,18,19)/t15-/m0/s1
InChIKeyLJEBZIVNLTYBSP-HNNXBMFYSA-N
MW322.18 g/mol
LogP3.81
Rot. Bonds3

About N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide

N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide (PubChem CID 97041570) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
PubChem CID97041570
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
SMILESCC(=O)N[C@@H](c1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C15H13BrFNO/c1-10(19)18-15(11-5-7-13(16)8-6-11)12-3-2-4-14(17)9-12/h2-9,15H,1H3,(H,18,19)/t15-/m0/s1
InChIKeyLJEBZIVNLTYBSP-HNNXBMFYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(R)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
CID 97041571
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
CID 1315645
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea
CID 1356900
[(3-fluorophenyl)-phenylmethyl]urea
CID 15151796
methyl 2-acetamido-2-(3-fluorophenyl)acetate
CID 116860635
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
(2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 97050764
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide (CID 97041570) is N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide is CC(=O)N[C@@H](c1ccc(Br)cc1)c1cccc(F)c1.
What is the InChIKey of N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide?
The InChIKey is LJEBZIVNLTYBSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10(19)18-15(11-5-7-13(16)8-6-11)12-3-2-4-14(17)9-12/h2-9,15H,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide?
N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide has a molecular weight of 322.18 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 97041570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).