2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide

C17H16BrF2NO3 — CID 9261428

IUPAC2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
SMILESCOc1cc(CNC(=O)Cc2ccc(Br)cc2)ccc1OC(F)F
InChIInChI=1S/C17H16BrF2NO3/c1-23-15-8-12(4-7-14(15)24-17(19)20)10-21-16(22)9-11-2-5-13(18)6-3-11/h2-8,17H,9-10H2,1H3,(H,21,22)
InChIKeyKJYGKFCQLLRIQM-UHFFFAOYSA-N
MW400.22 g/mol
LogP3.92
Rot. Bonds7

About 2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide

2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide (PubChem CID 9261428) has the molecular formula C17H16BrF2NO3 and a molecular weight of 400.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
PubChem CID9261428
Molecular FormulaC17H16BrF2NO3
Molecular Weight400.22 g/mol
Exact Mass399.03
IUPAC Name2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
SMILESCOc1cc(CNC(=O)Cc2ccc(Br)cc2)ccc1OC(F)F
InChIInChI=1S/C17H16BrF2NO3/c1-23-15-8-12(4-7-14(15)24-17(19)20)10-21-16(22)9-11-2-5-13(18)6-3-11/h2-8,17H,9-10H2,1H3,(H,21,22)
InChIKeyKJYGKFCQLLRIQM-UHFFFAOYSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
2-(2-bromo-4,5-diethoxyphenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 31553468
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17480128
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide
CID 55741890
4-bromo-N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]benzamide
CID 26443729
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 9261479
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dimethylphenyl)propanamide
CID 36937319

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide (CID 9261428) is 2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide is COc1cc(CNC(=O)Cc2ccc(Br)cc2)ccc1OC(F)F.
What is the InChIKey of 2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide?
The InChIKey is KJYGKFCQLLRIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2NO3/c1-23-15-8-12(4-7-14(15)24-17(19)20)10-21-16(22)9-11-2-5-13(18)6-3-11/h2-8,17H,9-10H2,1H3,(H,21,22).
What are the key properties of 2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide?
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide has a molecular weight of 400.22 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide is sourced from PubChem (CID 9261428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).