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

C24H29ClN2O4 — CID 35275877

IUPAC3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C24H29ClN2O4/c1-16(2)15-31-22-19(25)13-17(14-21(22)30-3)23(28)26-20-10-6-5-9-18(20)24(29)27-11-7-4-8-12-27/h5-6,9-10,13-14,16H,4,7-8,11-12,15H2,1-3H3,(H,26,28)
InChIKeyZFIMHRIUTLAAOY-UHFFFAOYSA-N
MW444.96 g/mol
LogP5.26
Rot. Bonds7

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

3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 35275877) 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-[2-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID35275877
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC Name3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C24H29ClN2O4/c1-16(2)15-31-22-19(25)13-17(14-21(22)30-3)23(28)26-20-10-6-5-9-18(20)24(29)27-11-7-4-8-12-27/h5-6,9-10,13-14,16H,4,7-8,11-12,15H2,1-3H3,(H,26,28)
InChIKeyZFIMHRIUTLAAOY-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-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905325
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 52692181
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperidin-1-ylmethanone
CID 112759339
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 119218308
3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 100774361
3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 35275154
3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 26799191
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520153
3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 7258591

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (CID 35275877) is 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is COc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is ZFIMHRIUTLAAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-16(2)15-31-22-19(25)13-17(14-21(22)30-3)23(28)26-20-10-6-5-9-18(20)24(29)27-11-7-4-8-12-27/h5-6,9-10,13-14,16H,4,7-8,11-12,15H2,1-3H3,(H,26,28).
What are the key properties of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(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-[2-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 35275877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).