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

C20H18ClF3N2O4 — CID 55781948

IUPACN-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)C2CCCO2)cc1C(F)(F)F
InChIInChI=1S/C20H18ClF3N2O4/c1-29-16-7-4-11(21)9-13(16)18(27)26-15-6-5-12(10-14(15)20(22,23)24)25-19(28)17-3-2-8-30-17/h4-7,9-10,17H,2-3,8H2,1H3,(H,25,28)(H,26,27)
InChIKeyRQVNRVOJVCZAIK-UHFFFAOYSA-N
MW442.82 g/mol
LogP4.74
Rot. Bonds5

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

N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 55781948) has the molecular formula C20H18ClF3N2O4 and a molecular weight of 442.82 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID55781948
Molecular FormulaC20H18ClF3N2O4
Molecular Weight442.82 g/mol
Exact Mass442.09
IUPAC NameN-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)C2CCCO2)cc1C(F)(F)F
InChIInChI=1S/C20H18ClF3N2O4/c1-29-16-7-4-11(21)9-13(16)18(27)26-15-6-5-12(10-14(15)20(22,23)24)25-19(28)17-3-2-8-30-17/h4-7,9-10,17H,2-3,8H2,1H3,(H,25,28)(H,26,27)
InChIKeyRQVNRVOJVCZAIK-UHFFFAOYSA-N
XLogP4.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.82
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781980
N-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46635100
N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
CID 110776693
N-[4-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886392
ethyl 2-methyl-6-[[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55782300
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide
CID 113036581
N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 166247509
N-[4-[(4-chloro-3-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782239
N-[4-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782149
6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87001389
(2R)-N-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 51958687
5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788209

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 55781948) is N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)C2CCCO2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is RQVNRVOJVCZAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N2O4/c1-29-16-7-4-11(21)9-13(16)18(27)26-15-6-5-12(10-14(15)20(22,23)24)25-19(28)17-3-2-8-30-17/h4-7,9-10,17H,2-3,8H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 442.82 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55781948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).