N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide

C19H20BrF2NO3 — CID 60566470

IUPACN-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)CCc2ccc(Br)cc2)c1OC(F)F
InChIInChI=1S/C19H20BrF2NO3/c1-12(6-7-13-8-10-14(20)11-9-13)23-18(24)15-4-3-5-16(25-2)17(15)26-19(21)22/h3-5,8-12,19H,6-7H2,1-2H3,(H,23,24)
InChIKeyZFSRCFSNTDGTLA-UHFFFAOYSA-N
MW428.27 g/mol
LogP4.81
Rot. Bonds8

About N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide

N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 60566470) has the molecular formula C19H20BrF2NO3 and a molecular weight of 428.27 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
PubChem CID60566470
Molecular FormulaC19H20BrF2NO3
Molecular Weight428.27 g/mol
Exact Mass427.06
IUPAC NameN-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)CCc2ccc(Br)cc2)c1OC(F)F
InChIInChI=1S/C19H20BrF2NO3/c1-12(6-7-13-8-10-14(20)11-9-13)23-18(24)15-4-3-5-16(25-2)17(15)26-19(21)22/h3-5,8-12,19H,6-7H2,1-2H3,(H,23,24)
InChIKeyZFSRCFSNTDGTLA-UHFFFAOYSA-N
XLogP4.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118
2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
CID 112765648
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
CID 51948773
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
CID 120828025
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 51150833
3-bromo-1-[2-(difluoromethoxy)-3-methoxyphenyl]propan-1-one
CID 134625135
3-[(2,3-dimethoxybenzoyl)amino]butanoic acid
CID 43240642

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide (CID 60566470) is N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide is COc1cccc(C(=O)NC(C)CCc2ccc(Br)cc2)c1OC(F)F.
What is the InChIKey of N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is ZFSRCFSNTDGTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF2NO3/c1-12(6-7-13-8-10-14(20)11-9-13)23-18(24)15-4-3-5-16(25-2)17(15)26-19(21)22/h3-5,8-12,19H,6-7H2,1-2H3,(H,23,24).
What are the key properties of N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide?
N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 428.27 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 60566470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).