4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide

C24H29ClN4O3 — CID 41083228

IUPAC4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H29ClN4O3/c1-3-18-6-4-5-7-21(18)27-22(30)16-28-12-14-29(15-13-28)24(32)17(2)26-23(31)19-8-10-20(25)11-9-19/h4-11,17H,3,12-16H2,1-2H3,(H,26,31)(H,27,30)/t17-/m0/s1
InChIKeyGZUSWZQSTDIEON-KRWDZBQOSA-N
MW456.97 g/mol
LogP2.80
Rot. Bonds7

About 4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide

4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 41083228) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID41083228
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H29ClN4O3/c1-3-18-6-4-5-7-21(18)27-22(30)16-28-12-14-29(15-13-28)24(32)17(2)26-23(31)19-8-10-20(25)11-9-19/h4-11,17H,3,12-16H2,1-2H3,(H,26,31)(H,27,30)/t17-/m0/s1
InChIKeyGZUSWZQSTDIEON-KRWDZBQOSA-N
XLogP2.80
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55789667
4-chloro-N-[1-[4-(2-methylpropyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 112765552
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833508
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 60529436
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9022351
4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 8839518
2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55364439
2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 42917736

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide (CID 41083228) is 4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is GZUSWZQSTDIEON-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-3-18-6-4-5-7-21(18)27-22(30)16-28-12-14-29(15-13-28)24(32)17(2)26-23(31)19-8-10-20(25)11-9-19/h4-11,17H,3,12-16H2,1-2H3,(H,26,31)(H,27,30)/t17-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 456.97 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 41083228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).