N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide

C15H14ClF3N2O2 — CID 119039617

IUPACN-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CN1
InChIInChI=1S/C15H14ClF3N2O2/c16-11-2-1-9(15(17,18)19)6-10(11)14(3-4-14)21-13(23)8-5-12(22)20-7-8/h1-2,6,8H,3-5,7H2,(H,20,22)(H,21,23)
InChIKeyHIKDLCMHNDRZFV-UHFFFAOYSA-N
MW346.74 g/mol
LogP2.60
Rot. Bonds3

About N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide

N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 119039617) has the molecular formula C15H14ClF3N2O2 and a molecular weight of 346.74 g/mol. Its IUPAC name is N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID119039617
Molecular FormulaC15H14ClF3N2O2
Molecular Weight346.74 g/mol
Exact Mass346.07
IUPAC NameN-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CN1
InChIInChI=1S/C15H14ClF3N2O2/c16-11-2-1-9(15(17,18)19)6-10(11)14(3-4-14)21-13(23)8-5-12(22)20-7-8/h1-2,6,8H,3-5,7H2,(H,20,22)(H,21,23)
InChIKeyHIKDLCMHNDRZFV-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268559
(3S)-N-[(R)-(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 167436526
N-[(S)-(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 175380301
N-[2-cyano-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 115911464
N-[(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166899012
5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide
CID 83192640
N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 116700756
N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981822
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78954339
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981588
3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192367

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide (CID 119039617) is N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CN1.
What is the InChIKey of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HIKDLCMHNDRZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O2/c16-11-2-1-9(15(17,18)19)6-10(11)14(3-4-14)21-13(23)8-5-12(22)20-7-8/h1-2,6,8H,3-5,7H2,(H,20,22)(H,21,23).
What are the key properties of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide?
N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 346.74 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119039617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).