3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide

C24H29ClN2O4 — CID 52692181

IUPAC3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C24H29ClN2O4/c1-16(2)15-31-22-20(25)13-18(14-21(22)30-3)23(28)26-19-9-7-8-17(12-19)24(29)27-10-5-4-6-11-27/h7-9,12-14,16H,4-6,10-11,15H2,1-3H3,(H,26,28)
InChIKeyDTXDTYGIIDTYHC-UHFFFAOYSA-N
MW444.96 g/mol
LogP5.26
Rot. Bonds7

About 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide

3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 52692181) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID52692181
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC Name3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C24H29ClN2O4/c1-16(2)15-31-22-20(25)13-18(14-21(22)30-3)23(28)26-19-9-7-8-17(12-19)24(29)27-10-5-4-6-11-27/h7-9,12-14,16H,4-6,10-11,15H2,1-3H3,(H,26,28)
InChIKeyDTXDTYGIIDTYHC-UHFFFAOYSA-N
XLogP5.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.96
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperidin-1-ylmethanone
CID 112759339
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275877
N-[[3-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 26159993
N-[[3-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 26159935
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401216
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
N-[3-(azepane-1-carbonyl)phenyl]-3-bromo-4-methoxybenzamide
CID 26159299
[4-(1-aminoethyl)piperidin-1-yl]-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 119518016
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26758161

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide (CID 52692181) is 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide is COc1cc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is DTXDTYGIIDTYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-16(2)15-31-22-20(25)13-18(14-21(22)30-3)23(28)26-19-9-7-8-17(12-19)24(29)27-10-5-4-6-11-27/h7-9,12-14,16H,4-6,10-11,15H2,1-3H3,(H,26,28).
What are the key properties of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 444.96 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 52692181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).