N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide

C21H23ClF2N2O — CID 46446929

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C21H23ClF2N2O/c22-17-6-2-1-5-16(17)20(26-11-3-4-12-26)14-25-21(27)10-8-15-7-9-18(23)19(24)13-15/h1-2,5-7,9,13,20H,3-4,8,10-12,14H2,(H,25,27)
InChIKeyFDAFZGNGAIMSJF-UHFFFAOYSA-N
MW392.88 g/mol
LogP4.50
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide (PubChem CID 46446929) has the molecular formula C21H23ClF2N2O and a molecular weight of 392.88 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide
PubChem CID46446929
Molecular FormulaC21H23ClF2N2O
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C21H23ClF2N2O/c22-17-6-2-1-5-16(17)20(26-11-3-4-12-26)14-25-21(27)10-8-15-7-9-18(23)19(24)13-15/h1-2,5-7,9,13,20H,3-4,8,10-12,14H2,(H,25,27)
InChIKeyFDAFZGNGAIMSJF-UHFFFAOYSA-N
XLogP4.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 55610174
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide
CID 46446817
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
CID 39590991
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)propanamide
CID 51937855
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 24638619
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 46521785
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
CID 46446913
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 35043337
4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 125170249

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide (CID 46446929) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide is O=C(CCc1ccc(F)c(F)c1)NCC(c1ccccc1Cl)N1CCCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide?
The InChIKey is FDAFZGNGAIMSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF2N2O/c22-17-6-2-1-5-16(17)20(26-11-3-4-12-26)14-25-21(27)10-8-15-7-9-18(23)19(24)13-15/h1-2,5-7,9,13,20H,3-4,8,10-12,14H2,(H,25,27).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide has a molecular weight of 392.88 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 46446929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).