N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

C20H17N3O4 — CID 55873277

IUPACN-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESNC(=O)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C20H17N3O4/c21-18(24)12-13-5-1-2-8-16(13)23-19(25)14-6-3-7-15(11-14)22-20(26)17-9-4-10-27-17/h1-11H,12H2,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyQGVNIOJEKITMJZ-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.81
Rot. Bonds6

About N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55873277) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55873277
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESNC(=O)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C20H17N3O4/c21-18(24)12-13-5-1-2-8-16(13)23-19(25)14-6-3-7-15(11-14)22-20(26)17-9-4-10-27-17/h1-11H,12H2,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyQGVNIOJEKITMJZ-UHFFFAOYSA-N
XLogP2.81
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871483
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(3-ethenylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 891471
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 71906453
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
CID 17172382
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 55873277) is N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is NC(=O)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is QGVNIOJEKITMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c21-18(24)12-13-5-1-2-8-16(13)23-19(25)14-6-3-7-15(11-14)22-20(26)17-9-4-10-27-17/h1-11H,12H2,(H2,21,24)(H,22,26)(H,23,25).
What are the key properties of N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55873277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).