4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide

C12H14FN3O3 — CID 66239433

IUPAC4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide
SMILESNC(=O)c1ccc(F)c(NC(=O)C2COCC2N)c1
InChIInChI=1S/C12H14FN3O3/c13-8-2-1-6(11(15)17)3-10(8)16-12(18)7-4-19-5-9(7)14/h1-3,7,9H,4-5,14H2,(H2,15,17)(H,16,18)
InChIKeySWWINKQAMLEEDX-UHFFFAOYSA-N
MW267.26 g/mol
LogP-0.16
Rot. Bonds3

About 4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide

4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide (PubChem CID 66239433) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide
PubChem CID66239433
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide
SMILESNC(=O)c1ccc(F)c(NC(=O)C2COCC2N)c1
InChIInChI=1S/C12H14FN3O3/c13-8-2-1-6(11(15)17)3-10(8)16-12(18)7-4-19-5-9(7)14/h1-3,7,9H,4-5,14H2,(H2,15,17)(H,16,18)
InChIKeySWWINKQAMLEEDX-UHFFFAOYSA-N
XLogP-0.16
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 60849041
3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550192
4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid
CID 66238111
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449
5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687973
2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid
CID 66237669
3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64823949
4-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]oxolane-3-carboxamide
CID 66240837
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide
CID 66241218
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide (CID 66239433) is 4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide is NC(=O)c1ccc(F)c(NC(=O)C2COCC2N)c1.
What is the InChIKey of 4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide?
The InChIKey is SWWINKQAMLEEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-8-2-1-6(11(15)17)3-10(8)16-12(18)7-4-19-5-9(7)14/h1-3,7,9H,4-5,14H2,(H2,15,17)(H,16,18).
What are the key properties of 4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide?
4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide has a molecular weight of 267.26 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66239433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).