N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C18H20BrNO2 — CID 19180400

IUPACN-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2Br)ccc1C(C)C
InChIInChI=1S/C18H20BrNO2/c1-12(2)15-9-8-14(10-13(15)3)22-11-18(21)20-17-7-5-4-6-16(17)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyMULKYNCGADVRML-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.90
Rot. Bonds5

About N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 19180400) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID19180400
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2Br)ccc1C(C)C
InChIInChI=1S/C18H20BrNO2/c1-12(2)15-9-8-14(10-13(15)3)22-11-18(21)20-17-7-5-4-6-16(17)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyMULKYNCGADVRML-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26902755
N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107171288
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
N-(5-amino-2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120568802
N-(2,5-dichlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7899903
2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35326706
2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide
CID 27896918
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide
CID 78930303
N-(2-chloro-4-fluorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26693197
N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40666712
N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
CID 42989399
1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea
CID 3303473

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 19180400) is N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2ccccc2Br)ccc1C(C)C.
What is the InChIKey of N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is MULKYNCGADVRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-12(2)15-9-8-14(10-13(15)3)22-11-18(21)20-17-7-5-4-6-16(17)19/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 362.27 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19180400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).