N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C19H15ClF3N3O5 — CID 55781980

IUPACN-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCO2)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H15ClF3N3O5/c20-14-5-4-11(26(29)30)9-12(14)17(27)25-15-6-3-10(8-13(15)19(21,22)23)24-18(28)16-2-1-7-31-16/h3-6,8-9,16H,1-2,7H2,(H,24,28)(H,25,27)
InChIKeySZVOIFWOKPFPEI-UHFFFAOYSA-N
MW457.79 g/mol
LogP4.64
Rot. Bonds5

About N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 55781980) has the molecular formula C19H15ClF3N3O5 and a molecular weight of 457.79 g/mol. Its IUPAC name is N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID55781980
Molecular FormulaC19H15ClF3N3O5
Molecular Weight457.79 g/mol
Exact Mass457.07
IUPAC NameN-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCO2)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H15ClF3N3O5/c20-14-5-4-11(26(29)30)9-12(14)17(27)25-15-6-3-10(8-13(15)19(21,22)23)24-18(28)16-2-1-7-31-16/h3-6,8-9,16H,1-2,7H2,(H,24,28)(H,25,27)
InChIKeySZVOIFWOKPFPEI-UHFFFAOYSA-N
XLogP4.64
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.79
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-chloro-3-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782239
(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide
CID 7306357
N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781948
N-[4-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782019
N-[4-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886392
N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781986
(2R)-N-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 51958687
N-[4-[[3-(cyanomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886992
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180
2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 78788516
6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87001389
ethyl 2-methyl-6-[[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55782300

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 55781980) is N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(NC(=O)C2CCCO2)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is SZVOIFWOKPFPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O5/c20-14-5-4-11(26(29)30)9-12(14)17(27)25-15-6-3-10(8-13(15)19(21,22)23)24-18(28)16-2-1-7-31-16/h3-6,8-9,16H,1-2,7H2,(H,24,28)(H,25,27).
What are the key properties of N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 457.79 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55781980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).