N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide

C23H19N3O3 — CID 78871658

IUPACN-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(NC(=O)c2ccco2)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H19N3O3/c27-22(21-9-4-12-29-21)25-19-8-3-5-16(13-19)15-24-23(28)26-20-11-10-17-6-1-2-7-18(17)14-20/h1-14H,15H2,(H,25,27)(H2,24,26,28)
InChIKeyMIYLKBUTIHFWAL-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.01
Rot. Bonds5

About N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide

N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide (PubChem CID 78871658) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
PubChem CID78871658
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(NC(=O)c2ccco2)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H19N3O3/c27-22(21-9-4-12-29-21)25-19-8-3-5-16(13-19)15-24-23(28)26-20-11-10-17-6-1-2-7-18(17)14-20/h1-14H,15H2,(H,25,27)(H2,24,26,28)
InChIKeyMIYLKBUTIHFWAL-UHFFFAOYSA-N
XLogP5.01
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 87010587
N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 86940328
N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 100700674
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 46401322
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]furan-2-carboxamide
CID 1491636
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 35669369
N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39228978
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111134401
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688

Frequently Asked Questions

What is the IUPAC name of N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide (CID 78871658) is N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide is O=C(NCc1cccc(NC(=O)c2ccco2)c1)Nc1ccc2ccccc2c1.
What is the InChIKey of N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide?
The InChIKey is MIYLKBUTIHFWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(21-9-4-12-29-21)25-19-8-3-5-16(13-19)15-24-23(28)26-20-11-10-17-6-1-2-7-18(17)14-20/h1-14H,15H2,(H,25,27)(H2,24,26,28).
What are the key properties of N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide?
N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 5.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 78871658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).