(3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C23H22ClF3N2O2 — CID 93149108

IUPAC(3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1CC1)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H22ClF3N2O2/c24-18-8-6-15(7-9-18)22(31)29-12-19(16-2-1-3-17(10-16)23(25,26)27)20(13-29)21(30)28-11-14-4-5-14/h1-3,6-10,14,19-20H,4-5,11-13H2,(H,28,30)/t19-,20-/m0/s1
InChIKeyIQTNMOICQJUOJJ-PMACEKPBSA-N
MW450.89 g/mol
LogP4.74
Rot. Bonds5

About (3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

(3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 93149108) has the molecular formula C23H22ClF3N2O2 and a molecular weight of 450.89 g/mol. Its IUPAC name is (3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID93149108
Molecular FormulaC23H22ClF3N2O2
Molecular Weight450.89 g/mol
Exact Mass450.13
IUPAC Name(3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1CC1)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H22ClF3N2O2/c24-18-8-6-15(7-9-18)22(31)29-12-19(16-2-1-3-17(10-16)23(25,26)27)20(13-29)21(30)28-11-14-4-5-14/h1-3,6-10,14,19-20H,4-5,11-13H2,(H,28,30)/t19-,20-/m0/s1
InChIKeyIQTNMOICQJUOJJ-PMACEKPBSA-N
XLogP4.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.89
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1-benzoyl-N-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93148987
(3S,4R)-1-benzoyl-N-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93148986
N-benzyl-1-(4-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680322
1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide
CID 42680162
1-(4-methoxybenzoyl)-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680313
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680359
(3S,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152077
(3S,4R)-N-benzyl-1-(2,4-dichlorobenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 98421116
(3S,4R)-N-(cyclopropylmethyl)-4-(3-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93154365
(3R,4R)-1-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93144938
(3S,4R)-1-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93144936
(3S,4S)-N-benzyl-1-(3-methoxybenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93148992

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 93149108) is (3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(NCC1CC1)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is IQTNMOICQJUOJJ-PMACEKPBSA-N. The full InChI is InChI=1S/C23H22ClF3N2O2/c24-18-8-6-15(7-9-18)22(31)29-12-19(16-2-1-3-17(10-16)23(25,26)27)20(13-29)21(30)28-11-14-4-5-14/h1-3,6-10,14,19-20H,4-5,11-13H2,(H,28,30)/t19-,20-/m0/s1.
What are the key properties of (3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 450.89 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 93149108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).