N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide

C22H18N2O4 — CID 9368629

IUPACN-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C22H18N2O4/c1-14(20-13-16-5-2-3-6-18(16)28-20)23-21(25)15-8-10-17(11-9-15)24-22(26)19-7-4-12-27-19/h2-14H,1H3,(H,23,25)(H,24,26)/t14-/m1/s1
InChIKeyRCEZCLXMQMSIIX-CQSZACIVSA-N
MW374.40 g/mol
LogP4.77
Rot. Bonds5

About N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 9368629) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID9368629
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C22H18N2O4/c1-14(20-13-16-5-2-3-6-18(16)28-20)23-21(25)15-8-10-17(11-9-15)24-22(26)19-7-4-12-27-19/h2-14H,1H3,(H,23,25)(H,24,26)/t14-/m1/s1
InChIKeyRCEZCLXMQMSIIX-CQSZACIVSA-N
XLogP4.77
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31310103
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide
CID 60545712
N-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55388221
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 51205981
N-[4-[1-(2-bromophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 24544718
N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9152076
4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide
CID 60569859
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 45353703
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide (CID 9368629) is N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is RCEZCLXMQMSIIX-CQSZACIVSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-14(20-13-16-5-2-3-6-18(16)28-20)23-21(25)15-8-10-17(11-9-15)24-22(26)19-7-4-12-27-19/h2-14H,1H3,(H,23,25)(H,24,26)/t14-/m1/s1.
What are the key properties of N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9368629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).