N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide

C16H14BrF2NO2 — CID 7948910

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
SMILESC[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrF2NO2/c1-10(11-2-6-13(17)7-3-11)20-15(21)12-4-8-14(9-5-12)22-16(18)19/h2-10,16H,1H3,(H,20,21)/t10-/m1/s1
InChIKeyUXPSBYMNNYMMRZ-SNVBAGLBSA-N
MW370.19 g/mol
LogP4.54
Rot. Bonds5

About N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide

N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide (PubChem CID 7948910) has the molecular formula C16H14BrF2NO2 and a molecular weight of 370.19 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
PubChem CID7948910
Molecular FormulaC16H14BrF2NO2
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
SMILESC[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrF2NO2/c1-10(11-2-6-13(17)7-3-11)20-15(21)12-4-8-14(9-5-12)22-16(18)19/h2-10,16H,1H3,(H,20,21)/t10-/m1/s1
InChIKeyUXPSBYMNNYMMRZ-SNVBAGLBSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-(4-bromophenyl)-2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 95154759
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
CID 39991415
3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide
CID 51933816
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 39991399
4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762317
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51115908
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide (CID 7948910) is N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide is C[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide?
The InChIKey is UXPSBYMNNYMMRZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14BrF2NO2/c1-10(11-2-6-13(17)7-3-11)20-15(21)12-4-8-14(9-5-12)22-16(18)19/h2-10,16H,1H3,(H,20,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide has a molecular weight of 370.19 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 7948910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).