(2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone

C23H22ClN3O — CID 22330413

IUPAC(2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1Nc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H22ClN3O/c24-18-11-12-22(25-19-7-3-1-4-8-19)21(17-18)23(28)27-15-13-26(14-16-27)20-9-5-2-6-10-20/h1-12,17,25H,13-16H2
InChIKeyPFTJGEZKXBQUGZ-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.05
Rot. Bonds4

About (2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone

(2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 22330413) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is (2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID22330413
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC Name(2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1Nc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H22ClN3O/c24-18-11-12-22(25-19-7-3-1-4-8-19)21(17-18)23(28)27-15-13-26(14-16-27)20-9-5-2-6-10-20/h1-12,17,25H,13-16H2
InChIKeyPFTJGEZKXBQUGZ-UHFFFAOYSA-N
XLogP5.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109216106
[4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46399270
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2486451
1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113213107
4-(2,4-dichlorophenoxy)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256499
[2-(2-amino-4-chloroanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 12834765
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
2-bromo-N-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17092733
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
(E)-4-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]anilino]-4-oxobut-2-enoic acid
CID 982181

Frequently Asked Questions

What is the IUPAC name of (2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone (CID 22330413) is (2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc(Cl)ccc1Nc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is PFTJGEZKXBQUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c24-18-11-12-22(25-19-7-3-1-4-8-19)21(17-18)23(28)27-15-13-26(14-16-27)20-9-5-2-6-10-20/h1-12,17,25H,13-16H2.
What are the key properties of (2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone?
(2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 391.90 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 22330413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).