N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide

C19H21ClFN3O2 — CID 30099925

IUPACN-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H21ClFN3O2/c20-14-1-6-18(17(21)13-14)22-19(26)7-8-23-9-11-24(12-10-23)15-2-4-16(25)5-3-15/h1-6,13,25H,7-12H2,(H,22,26)
InChIKeyOUORIYQRJLBBSH-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.34
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide

N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 30099925) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID30099925
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H21ClFN3O2/c20-14-1-6-18(17(21)13-14)22-19(26)7-8-23-9-11-24(12-10-23)15-2-4-16(25)5-3-15/h1-6,13,25H,7-12H2,(H,22,26)
InChIKeyOUORIYQRJLBBSH-UHFFFAOYSA-N
XLogP3.34
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
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N-(4-chloro-2-fluorophenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
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N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
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N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
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N-(2-fluoro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691168
N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
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1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide
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N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
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N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
N-(4-bromo-2-fluorophenyl)-3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propanamide
CID 38519204
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695542
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (CID 30099925) is N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is O=C(CCN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is OUORIYQRJLBBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c20-14-1-6-18(17(21)13-14)22-19(26)7-8-23-9-11-24(12-10-23)15-2-4-16(25)5-3-15/h1-6,13,25H,7-12H2,(H,22,26).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 377.85 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 30099925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).