1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide

C19H18BrF2NO2 — CID 18291480

IUPAC1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C19H18BrF2NO2/c20-14-5-3-13(4-6-14)19(11-1-2-12-19)17(24)23-15-7-9-16(10-8-15)25-18(21)22/h3-10,18H,1-2,11-12H2,(H,23,24)
InChIKeyONJRJSFJXGGTLP-UHFFFAOYSA-N
MW410.26 g/mol
LogP5.50
Rot. Bonds5

About 1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide

1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide (PubChem CID 18291480) has the molecular formula C19H18BrF2NO2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide
PubChem CID18291480
Molecular FormulaC19H18BrF2NO2
Molecular Weight410.26 g/mol
Exact Mass409.05
IUPAC Name1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C19H18BrF2NO2/c20-14-5-3-13(4-6-14)19(11-1-2-12-19)17(24)23-15-7-9-16(10-8-15)25-18(21)22/h3-10,18H,1-2,11-12H2,(H,23,24)
InChIKeyONJRJSFJXGGTLP-UHFFFAOYSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
N-[4-(difluoromethoxy)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430225
2-(1-aminocyclopentyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 64683969
1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide
CID 46568564
N-[3-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55742350
1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide
CID 32941075
4-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]-4-oxobutanamide
CID 26800921
1-carbamothioyl-N-[4-(difluoromethoxy)phenyl]cyclobutane-1-carboxamide
CID 80592420
[2-(4-bromoanilino)-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 33349708

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide (CID 18291480) is 1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)C1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide?
The InChIKey is ONJRJSFJXGGTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF2NO2/c20-14-5-3-13(4-6-14)19(11-1-2-12-19)17(24)23-15-7-9-16(10-8-15)25-18(21)22/h3-10,18H,1-2,11-12H2,(H,23,24).
What are the key properties of 1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide?
1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide has a molecular weight of 410.26 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 18291480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).