N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

C24H19BrN2O3 — CID 60571787

IUPACN-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCc1cccc(Br)c1
InChIInChI=1S/C24H19BrN2O3/c25-19-6-3-4-17(12-19)15-26-23(28)13-16-8-10-20(11-9-16)27-24(29)22-14-18-5-1-2-7-21(18)30-22/h1-12,14H,13,15H2,(H,26,28)(H,27,29)
InChIKeyPKXUUPTVAGXKML-UHFFFAOYSA-N
MW463.33 g/mol
LogP5.31
Rot. Bonds6

About N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 60571787) has the molecular formula C24H19BrN2O3 and a molecular weight of 463.33 g/mol. Its IUPAC name is N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID60571787
Molecular FormulaC24H19BrN2O3
Molecular Weight463.33 g/mol
Exact Mass462.06
IUPAC NameN-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCc1cccc(Br)c1
InChIInChI=1S/C24H19BrN2O3/c25-19-6-3-4-17(12-19)15-26-23(28)13-16-8-10-20(11-9-16)27-24(29)22-14-18-5-1-2-7-21(18)30-22/h1-12,14H,13,15H2,(H,26,28)(H,27,29)
InChIKeyPKXUUPTVAGXKML-UHFFFAOYSA-N
XLogP5.31
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.33
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56586618
methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate
CID 60572698
N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22780436
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56559124
N-[4-(naphthalene-1-carbonylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 17109692
N-[4-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572471
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571464
N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22554151

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide (CID 60571787) is N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide is O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCc1cccc(Br)c1.
What is the InChIKey of N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is PKXUUPTVAGXKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O3/c25-19-6-3-4-17(12-19)15-26-23(28)13-16-8-10-20(11-9-16)27-24(29)22-14-18-5-1-2-7-21(18)30-22/h1-12,14H,13,15H2,(H,26,28)(H,27,29).
What are the key properties of N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 463.33 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60571787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).