N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide

C26H27ClN2O2 — CID 68817637

IUPACN-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide
SMILESO=C(CCc1ccc(CN2CC[C@H](O)C2)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H27ClN2O2/c27-23-10-6-21(7-11-23)22-8-12-24(13-9-22)28-26(31)14-5-19-1-3-20(4-2-19)17-29-16-15-25(30)18-29/h1-4,6-13,25,30H,5,14-18H2,(H,28,31)/t25-/m0/s1
InChIKeyVKSNJJBMCFKVSA-VWLOTQADSA-N
MW434.97 g/mol
LogP5.14
Rot. Bonds7

About N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide

N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide (PubChem CID 68817637) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide
PubChem CID68817637
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC NameN-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide
SMILESO=C(CCc1ccc(CN2CC[C@H](O)C2)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H27ClN2O2/c27-23-10-6-21(7-11-23)22-8-12-24(13-9-22)28-26(31)14-5-19-1-3-20(4-2-19)17-29-16-15-25(30)18-29/h1-4,6-13,25,30H,5,14-18H2,(H,28,31)/t25-/m0/s1
InChIKeyVKSNJJBMCFKVSA-VWLOTQADSA-N
XLogP5.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide
CID 68816989
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CID 110650035
1-[(4-chlorophenyl)methyl]piperidin-4-ol
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N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
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N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
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3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
CID 55428414
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55798631
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide
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N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide?
The IUPAC name of N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide (CID 68817637) is N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide is O=C(CCc1ccc(CN2CC[C@H](O)C2)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide?
The InChIKey is VKSNJJBMCFKVSA-VWLOTQADSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c27-23-10-6-21(7-11-23)22-8-12-24(13-9-22)28-26(31)14-5-19-1-3-20(4-2-19)17-29-16-15-25(30)18-29/h1-4,6-13,25,30H,5,14-18H2,(H,28,31)/t25-/m0/s1.
What are the key properties of N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide?
N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide has a molecular weight of 434.97 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide is sourced from PubChem (CID 68817637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).