N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C19H16ClF3N2O2 — CID 26262421

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESO=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H16ClF3N2O2/c20-15-7-6-13(10-14(15)19(21,22)23)24-17(26)8-5-12-9-11-3-1-2-4-16(11)25-18(12)27/h1-4,6-7,10,12H,5,8-9H2,(H,24,26)(H,25,27)/t12-/m1/s1
InChIKeyLJEIAZLVWISXGT-GFCCVEGCSA-N
MW396.80 g/mol
LogP4.89
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 26262421) has the molecular formula C19H16ClF3N2O2 and a molecular weight of 396.80 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
PubChem CID26262421
Molecular FormulaC19H16ClF3N2O2
Molecular Weight396.80 g/mol
Exact Mass396.09
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESO=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H16ClF3N2O2/c20-15-7-6-13(10-14(15)19(21,22)23)24-17(26)8-5-12-9-11-3-1-2-4-16(11)25-18(12)27/h1-4,6-7,10,12H,5,8-9H2,(H,24,26)(H,25,27)/t12-/m1/s1
InChIKeyLJEIAZLVWISXGT-GFCCVEGCSA-N
XLogP4.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26062216
N-(3-fluoro-4-methylphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26026495
N-(3-fluoro-4-methylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42933936
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615598
2-[2-fluoro-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 122110056
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 134051540
N-(5-acetamido-2-fluorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 24673978
N-(3-methoxyphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537746
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
CID 31306923
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 51862890
N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262533
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 26262421) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The InChIKey is LJEIAZLVWISXGT-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16ClF3N2O2/c20-15-7-6-13(10-14(15)19(21,22)23)24-17(26)8-5-12-9-11-3-1-2-4-16(11)25-18(12)27/h1-4,6-7,10,12H,5,8-9H2,(H,24,26)(H,25,27)/t12-/m1/s1.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 396.80 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 26262421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).