N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide

C13H13N3O3 — CID 39184130

IUPACN-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide
SMILESNCC(=O)Nc1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C13H13N3O3/c14-8-12(17)15-9-4-1-2-5-10(9)16-13(18)11-6-3-7-19-11/h1-7H,8,14H2,(H,15,17)(H,16,18)
InChIKeyZKDOLSNDCJHFCC-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.43
Rot. Bonds4

About N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide

N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide (PubChem CID 39184130) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide
PubChem CID39184130
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide
SMILESNCC(=O)Nc1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C13H13N3O3/c14-8-12(17)15-9-4-1-2-5-10(9)16-13(18)11-6-3-7-19-11/h1-7H,8,14H2,(H,15,17)(H,16,18)
InChIKeyZKDOLSNDCJHFCC-UHFFFAOYSA-N
XLogP1.43
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 2993149
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-[2-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 856521
N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
CID 959679
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
CID 39193662
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
N-[4-methoxy-2-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 9324966
N-(3-amino-2-methylphenyl)furan-2-carboxamide
CID 16775861

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide (CID 39184130) is N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide is NCC(=O)Nc1ccccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is ZKDOLSNDCJHFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-8-12(17)15-9-4-1-2-5-10(9)16-13(18)11-6-3-7-19-11/h1-7H,8,14H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide?
N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 39184130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).