N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide

C23H28ClN3O3 — CID 41316307

IUPACN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide
SMILESCC[C@H](C)Oc1cccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C23H28ClN3O3/c1-4-16(2)30-19-8-5-7-18(15-19)23(29)25-21-10-6-9-20(24)22(21)27-13-11-26(12-14-27)17(3)28/h5-10,15-16H,4,11-14H2,1-3H3,(H,25,29)/t16-/m0/s1
InChIKeyBKLSQDWZRFTNMZ-INIZCTEOSA-N
MW429.95 g/mol
LogP4.44
Rot. Bonds6

About N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide (PubChem CID 41316307) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide
PubChem CID41316307
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide
SMILESCC[C@H](C)Oc1cccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C23H28ClN3O3/c1-4-16(2)30-19-8-5-7-18(15-19)23(29)25-21-10-6-9-20(24)22(21)27-13-11-26(12-14-27)17(3)28/h5-10,15-16H,4,11-14H2,1-3H3,(H,25,29)/t16-/m0/s1
InChIKeyBKLSQDWZRFTNMZ-INIZCTEOSA-N
XLogP4.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide
CID 17177021
3-butan-2-yloxy-N-[3-chloro-4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]benzamide
CID 43913391
3-[[3-[(2S)-butan-2-yl]oxybenzoyl]amino]-4-chlorobenzoic acid
CID 28673178
3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide
CID 17149678
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide
CID 17176995
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 3161440
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
3-[(2R)-butan-2-yl]oxy-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]benzamide
CID 29321277
3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 17149777
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-methoxynaphthalene-2-carboxamide
CID 17177063
3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
CID 17149674
3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide
CID 17220322

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide (CID 41316307) is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide is CC[C@H](C)Oc1cccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)c1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide?
The InChIKey is BKLSQDWZRFTNMZ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-4-16(2)30-19-8-5-7-18(15-19)23(29)25-21-10-6-9-20(24)22(21)27-13-11-26(12-14-27)17(3)28/h5-10,15-16H,4,11-14H2,1-3H3,(H,25,29)/t16-/m0/s1.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide?
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide has a molecular weight of 429.95 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide is sourced from PubChem (CID 41316307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).