N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide

C18H20BrNO2 — CID 40666712

IUPACN-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-3-13(2)14-8-10-15(11-9-14)22-12-18(21)20-17-7-5-4-6-16(17)19/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyHKJWJBMLDNSZAZ-ZDUSSCGKSA-N
MW362.27 g/mol
LogP4.98
Rot. Bonds6

About N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide

N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide (PubChem CID 40666712) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
PubChem CID40666712
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-3-13(2)14-8-10-15(11-9-14)22-12-18(21)20-17-7-5-4-6-16(17)19/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyHKJWJBMLDNSZAZ-ZDUSSCGKSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 7321326
N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
CID 42989399
2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4959325
N-(2-bromophenyl)-2-(4-propylphenoxy)acetamide
CID 19180395
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865
3-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-2-methylbenzoic acid
CID 893469
N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 2942339
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide (CID 40666712) is N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide is CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide?
The InChIKey is HKJWJBMLDNSZAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-3-13(2)14-8-10-15(11-9-14)22-12-18(21)20-17-7-5-4-6-16(17)19/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide?
N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide has a molecular weight of 362.27 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide is sourced from PubChem (CID 40666712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).