N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide

C18H22ClN3O — CID 97238222

IUPACN-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H]1c1ccc[nH]1)NCc1ccccc1Cl
InChIInChI=1S/C18H22ClN3O/c19-15-6-2-1-5-14(15)13-21-18(23)9-12-22-11-4-8-17(22)16-7-3-10-20-16/h1-3,5-7,10,17,20H,4,8-9,11-13H2,(H,21,23)/t17-/m0/s1
InChIKeyFXXSEOZJSSTRGM-KRWDZBQOSA-N
MW331.85 g/mol
LogP3.51
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide (PubChem CID 97238222) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide
PubChem CID97238222
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H]1c1ccc[nH]1)NCc1ccccc1Cl
InChIInChI=1S/C18H22ClN3O/c19-15-6-2-1-5-14(15)13-21-18(23)9-12-22-11-4-8-17(22)16-7-3-10-20-16/h1-3,5-7,10,17,20H,4,8-9,11-13H2,(H,21,23)/t17-/m0/s1
InChIKeyFXXSEOZJSSTRGM-KRWDZBQOSA-N
XLogP3.51
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 75386560
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
1-[(2-chlorophenyl)methyl]-4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
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N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690809
N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760417
N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 108998036
N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 120753162
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CID 75189492
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 40753101
3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 7680165
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide (CID 97238222) is N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide is O=C(CCN1CCC[C@H]1c1ccc[nH]1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is FXXSEOZJSSTRGM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22ClN3O/c19-15-6-2-1-5-14(15)13-21-18(23)9-12-22-11-4-8-17(22)16-7-3-10-20-16/h1-3,5-7,10,17,20H,4,8-9,11-13H2,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 331.85 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 97238222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).