N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide

C25H23BrN2O3 — CID 92500941

IUPACN-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
SMILESO=C(Nc1c([C@@H](c2ccc(Br)cc2)N2CCCCC2)oc2ccccc12)c1ccco1
InChIInChI=1S/C25H23BrN2O3/c26-18-12-10-17(11-13-18)23(28-14-4-1-5-15-28)24-22(19-7-2-3-8-20(19)31-24)27-25(29)21-9-6-16-30-21/h2-3,6-13,16,23H,1,4-5,14-15H2,(H,27,29)/t23-/m1/s1
InChIKeyYGOUBXDQHIPAJP-HSZRJFAPSA-N
MW479.37 g/mol
LogP6.62
Rot. Bonds5

About N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide

N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide (PubChem CID 92500941) has the molecular formula C25H23BrN2O3 and a molecular weight of 479.37 g/mol. Its IUPAC name is N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
PubChem CID92500941
Molecular FormulaC25H23BrN2O3
Molecular Weight479.37 g/mol
Exact Mass478.09
IUPAC NameN-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
SMILESO=C(Nc1c([C@@H](c2ccc(Br)cc2)N2CCCCC2)oc2ccccc12)c1ccco1
InChIInChI=1S/C25H23BrN2O3/c26-18-12-10-17(11-13-18)23(28-14-4-1-5-15-28)24-22(19-7-2-3-8-20(19)31-24)27-25(29)21-9-6-16-30-21/h2-3,6-13,16,23H,1,4-5,14-15H2,(H,27,29)/t23-/m1/s1
InChIKeyYGOUBXDQHIPAJP-HSZRJFAPSA-N
XLogP6.62
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.37
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 46270001
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501103
N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 46269989
N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 46270044
4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92501125
N-[2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500979
4-methyl-N-[2-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270087
N-[2-[(R)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500969
N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500970
N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 92500957
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide
CID 4281017
N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501081

Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide (CID 92500941) is N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide is O=C(Nc1c([C@@H](c2ccc(Br)cc2)N2CCCCC2)oc2ccccc12)c1ccco1.
What is the InChIKey of N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide?
The InChIKey is YGOUBXDQHIPAJP-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H23BrN2O3/c26-18-12-10-17(11-13-18)23(28-14-4-1-5-15-28)24-22(19-7-2-3-8-20(19)31-24)27-25(29)21-9-6-16-30-21/h2-3,6-13,16,23H,1,4-5,14-15H2,(H,27,29)/t23-/m1/s1.
What are the key properties of N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide?
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide has a molecular weight of 479.37 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide is sourced from PubChem (CID 92500941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).