N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide

C20H23ClN2O3 — CID 166309726

IUPACN-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide
SMILESO=C(NC(CCO)c1ccc(Cl)cc1)c1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C20H23ClN2O3/c21-16-5-1-14(2-6-16)19(10-12-24)22-20(26)15-3-7-17(8-4-15)23-11-9-18(25)13-23/h1-8,18-19,24-25H,9-13H2,(H,22,26)
InChIKeyKTDLRWJOPUTWPZ-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.76
Rot. Bonds6

About N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide

N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide (PubChem CID 166309726) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide
PubChem CID166309726
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide
SMILESO=C(NC(CCO)c1ccc(Cl)cc1)c1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C20H23ClN2O3/c21-16-5-1-14(2-6-16)19(10-12-24)22-20(26)15-3-7-17(8-4-15)23-11-9-18(25)13-23/h1-8,18-19,24-25H,9-13H2,(H,22,26)
InChIKeyKTDLRWJOPUTWPZ-UHFFFAOYSA-N
XLogP2.76
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125042505
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide
CID 166401804
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 110004658
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea
CID 155950829
4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide
CID 79031490
N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 52522157
4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 110011756
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide (CID 166309726) is N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide is O=C(NC(CCO)c1ccc(Cl)cc1)c1ccc(N2CCC(O)C2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide?
The InChIKey is KTDLRWJOPUTWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c21-16-5-1-14(2-6-16)19(10-12-24)22-20(26)15-3-7-17(8-4-15)23-11-9-18(25)13-23/h1-8,18-19,24-25H,9-13H2,(H,22,26).
What are the key properties of N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide?
N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide has a molecular weight of 374.87 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide is sourced from PubChem (CID 166309726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).