4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide

C19H18BrF2NO3 — CID 27884457

IUPAC4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Br)cc1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18BrF2NO3/c20-15-5-3-14(4-6-15)17(24)9-10-18(25)23-12-11-13-1-7-16(8-2-13)26-19(21)22/h1-8,19H,9-12H2,(H,23,25)
InChIKeyVPNBDZVXGCGUDN-UHFFFAOYSA-N
MW426.26 g/mol
LogP4.37
Rot. Bonds9

About 4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide

4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide (PubChem CID 27884457) has the molecular formula C19H18BrF2NO3 and a molecular weight of 426.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide
PubChem CID27884457
Molecular FormulaC19H18BrF2NO3
Molecular Weight426.26 g/mol
Exact Mass425.04
IUPAC Name4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Br)cc1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18BrF2NO3/c20-15-5-3-14(4-6-15)17(24)9-10-18(25)23-12-11-13-1-7-16(8-2-13)26-19(21)22/h1-8,19H,9-12H2,(H,23,25)
InChIKeyVPNBDZVXGCGUDN-UHFFFAOYSA-N
XLogP4.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]-4-oxobutanamide
CID 26800921
4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538363
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]butanamide
CID 55385257
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxyphenoxy)propanamide
CID 24644486
ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
CID 46446447
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 61258827
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
CID 115139262

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide (CID 27884457) is 4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(Br)cc1)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide?
The InChIKey is VPNBDZVXGCGUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF2NO3/c20-15-5-3-14(4-6-15)17(24)9-10-18(25)23-12-11-13-1-7-16(8-2-13)26-19(21)22/h1-8,19H,9-12H2,(H,23,25).
What are the key properties of 4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide?
4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide has a molecular weight of 426.26 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide is sourced from PubChem (CID 27884457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).