2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide

C20H16F2N4O4 — CID 141162980

IUPAC2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide
SMILESNCC(=O)N(NC(=O)c1ccccc1)NC(=O)c1ccc(-c2cc(F)cc(F)c2)o1
InChIInChI=1S/C20H16F2N4O4/c21-14-8-13(9-15(22)10-14)16-6-7-17(30-16)20(29)25-26(18(27)11-23)24-19(28)12-4-2-1-3-5-12/h1-10H,11,23H2,(H,24,28)(H,25,29)
InChIKeyJKTJZNMRAAIBLE-UHFFFAOYSA-N
MW414.37 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide

2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide (PubChem CID 141162980) has the molecular formula C20H16F2N4O4 and a molecular weight of 414.37 g/mol. Its IUPAC name is 2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide.

Molecular Properties

Compound Name2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide
PubChem CID141162980
Molecular FormulaC20H16F2N4O4
Molecular Weight414.37 g/mol
Exact Mass414.11
IUPAC Name2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide
SMILESNCC(=O)N(NC(=O)c1ccccc1)NC(=O)c1ccc(-c2cc(F)cc(F)c2)o1
InChIInChI=1S/C20H16F2N4O4/c21-14-8-13(9-15(22)10-14)16-6-7-17(30-16)20(29)25-26(18(27)11-23)24-19(28)12-4-2-1-3-5-12/h1-10H,11,23H2,(H,24,28)(H,25,29)
InChIKeyJKTJZNMRAAIBLE-UHFFFAOYSA-N
XLogP2.00
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(4-nitrobenzoyl)amino]-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]acetamide
CID 141162978
2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid
CID 176914450
N',N'-dibenzamidobenzohydrazide
CID 91211036
5-(3-fluorophenyl)-N'-(4-methoxybenzoyl)furan-2-carbohydrazide
CID 24900154
N'-(2-chlorobenzoyl)-5-(3-fluorophenyl)furan-2-carbohydrazide
CID 24900153
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 51475340
5-(4-fluorophenyl)-N'-(3-hydroxynaphthalene-2-carbonyl)furan-2-carbohydrazide
CID 18272087
ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate
CID 59654810
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide
CID 4664621
N-(3-amino-2-methylpropyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 119995910
N'-(2-fluorobenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide
CID 9084734

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide?
The IUPAC name of 2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide (CID 141162980) is 2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide.
What is the SMILES notation for 2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide?
The canonical SMILES for 2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide is NCC(=O)N(NC(=O)c1ccccc1)NC(=O)c1ccc(-c2cc(F)cc(F)c2)o1.
What is the InChIKey of 2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide?
The InChIKey is JKTJZNMRAAIBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O4/c21-14-8-13(9-15(22)10-14)16-6-7-17(30-16)20(29)25-26(18(27)11-23)24-19(28)12-4-2-1-3-5-12/h1-10H,11,23H2,(H,24,28)(H,25,29).
What are the key properties of 2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide?
2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide has a molecular weight of 414.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzamido-N-[[5-(3,5-difluorophenyl)furan-2-carbonyl]amino]acetamide is sourced from PubChem (CID 141162980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).