N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C19H21ClFN3O2 — CID 3245729

IUPACN-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C19H21ClFN3O2/c1-26-18-7-4-15(12-17(18)20)22-19(25)13-23-8-10-24(11-9-23)16-5-2-14(21)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyRUYLLQRMQPVKKP-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.25
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 3245729) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID3245729
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C19H21ClFN3O2/c1-26-18-7-4-15(12-17(18)20)22-19(25)13-23-8-10-24(11-9-23)16-5-2-14(21)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyRUYLLQRMQPVKKP-UHFFFAOYSA-N
XLogP3.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-(3-chloro-4-methoxyphenyl)-
CID 23474
N-(4-Methoxyphenyl)-2-(4-phenyl-1-piperazinyl)acetamide
CID 975074
1-allyl-N-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486111
N-[(4-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655390
4-[2-(2-Chloro-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 4880172
1-[(2-Chlorophenoxy)acetyl]-4-(4-fluorophenyl)piperazine
CID 716264
N-(4-Methoxy-phenyl)-2-{4-[(4-methoxy-phenylcarbamoyl)-methyl]-piperazin-1-yl}-acetamide
CID 1146672
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3238294
2-(4-{[(4-Chlorophenyl)carbamoyl]methyl}piperazin-1-YL)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 3243802
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-N'-(4-methoxyphenyl)urea
CID 5308271
N-[4-(Diethylamino)phenyl]-2-(4-{[(4-methoxyphenyl)carbamoyl]methyl}piperazin-1-YL)acetamide
CID 20970559
N-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6467078

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 3245729) is N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is RUYLLQRMQPVKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-26-18-7-4-15(12-17(18)20)22-19(25)13-23-8-10-24(11-9-23)16-5-2-14(21)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 377.85 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3245729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).