N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

C20H18ClFN2O — CID 46342761

IUPACN-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CC(c1cccc(F)c1)n1cccc1)NCc1ccccc1Cl
InChIInChI=1S/C20H18ClFN2O/c21-18-9-2-1-6-16(18)14-23-20(25)13-19(24-10-3-4-11-24)15-7-5-8-17(22)12-15/h1-12,19H,13-14H2,(H,23,25)
InChIKeyZOWWDVUZBGGLMI-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.58
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 46342761) has the molecular formula C20H18ClFN2O and a molecular weight of 356.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
PubChem CID46342761
Molecular FormulaC20H18ClFN2O
Molecular Weight356.83 g/mol
Exact Mass356.11
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CC(c1cccc(F)c1)n1cccc1)NCc1ccccc1Cl
InChIInChI=1S/C20H18ClFN2O/c21-18-9-2-1-6-16(18)14-23-20(25)13-19(24-10-3-4-11-24)15-7-5-8-17(22)12-15/h1-12,19H,13-14H2,(H,23,25)
InChIKeyZOWWDVUZBGGLMI-UHFFFAOYSA-N
XLogP4.58
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide
CID 46342788
N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide
CID 109021434
N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9209761
(3R)-N-(3,4-difluorophenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709455
(3R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709492
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046111
3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46342782
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767
(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709401
N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161786
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709355
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (CID 46342761) is N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is O=C(CC(c1cccc(F)c1)n1cccc1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is ZOWWDVUZBGGLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O/c21-18-9-2-1-6-16(18)14-23-20(25)13-19(24-10-3-4-11-24)15-7-5-8-17(22)12-15/h1-12,19H,13-14H2,(H,23,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 356.83 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).