3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide

C15H16ClF3N2O2 — CID 99707619

IUPAC3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
SMILESCCC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H16ClF3N2O2/c1-2-13(22)21-4-3-12(8-21)20-14(23)9-5-10(15(17,18)19)7-11(16)6-9/h5-7,12H,2-4,8H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyJPLHAUCSQXEXNY-GFCCVEGCSA-N
MW348.75 g/mol
LogP3.10
Rot. Bonds3

About 3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide

3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide (PubChem CID 99707619) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is 3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
PubChem CID99707619
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC Name3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
SMILESCCC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H16ClF3N2O2/c1-2-13(22)21-4-3-12(8-21)20-14(23)9-5-10(15(17,18)19)7-11(16)6-9/h5-7,12H,2-4,8H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyJPLHAUCSQXEXNY-GFCCVEGCSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 124508544
3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 46476936
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672
N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46548552
N-[2-[[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 86757903
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide
CID 99599053
1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366559
N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 88988726
1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methylpiperidin-1-yl]propan-1-one
CID 71927533
methyl (2S)-3-[[3-chloro-5-(trifluoromethyl)benzoyl]amino]-2-hydroxy-2-methylpropanoate
CID 129359079

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide (CID 99707619) is 3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide is CCC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is JPLHAUCSQXEXNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c1-2-13(22)21-4-3-12(8-21)20-14(23)9-5-10(15(17,18)19)7-11(16)6-9/h5-7,12H,2-4,8H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of 3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide?
3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 348.75 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 99707619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).