4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide

C19H20BrF2NO4 — CID 55741890

IUPAC4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide
SMILESCOc1cc(CNC(=O)CCCOc2ccccc2Br)ccc1OC(F)F
InChIInChI=1S/C19H20BrF2NO4/c1-25-17-11-13(8-9-16(17)27-19(21)22)12-23-18(24)7-4-10-26-15-6-3-2-5-14(15)20/h2-3,5-6,8-9,11,19H,4,7,10,12H2,1H3,(H,23,24)
InChIKeyNMYVIXWVFPFYGN-UHFFFAOYSA-N
MW444.27 g/mol
LogP4.53
Rot. Bonds10

About 4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide

4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide (PubChem CID 55741890) has the molecular formula C19H20BrF2NO4 and a molecular weight of 444.27 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide
PubChem CID55741890
Molecular FormulaC19H20BrF2NO4
Molecular Weight444.27 g/mol
Exact Mass443.05
IUPAC Name4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide
SMILESCOc1cc(CNC(=O)CCCOc2ccccc2Br)ccc1OC(F)F
InChIInChI=1S/C19H20BrF2NO4/c1-25-17-11-13(8-9-16(17)27-19(21)22)12-23-18(24)7-4-10-26-15-6-3-2-5-14(15)20/h2-3,5-6,8-9,11,19H,4,7,10,12H2,1H3,(H,23,24)
InChIKeyNMYVIXWVFPFYGN-UHFFFAOYSA-N
XLogP4.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide
CID 9261506
2-(2-bromo-4,5-diethoxyphenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 31553468
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51143155
2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261449
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
2-(2-chloro-4-fluorophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 41498200
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 9262125
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 27894841

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide?
The IUPAC name of 4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide (CID 55741890) is 4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide.
What is the SMILES notation for 4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide?
The canonical SMILES for 4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide is COc1cc(CNC(=O)CCCOc2ccccc2Br)ccc1OC(F)F.
What is the InChIKey of 4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide?
The InChIKey is NMYVIXWVFPFYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF2NO4/c1-25-17-11-13(8-9-16(17)27-19(21)22)12-23-18(24)7-4-10-26-15-6-3-2-5-14(15)20/h2-3,5-6,8-9,11,19H,4,7,10,12H2,1H3,(H,23,24).
What are the key properties of 4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide?
4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide has a molecular weight of 444.27 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide is sourced from PubChem (CID 55741890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).