3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide

C20H23ClN2O3 — CID 55412139

IUPAC3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(Cc2ccncc2)C2CC2)cc1OC
InChIInChI=1S/C20H23ClN2O3/c1-3-10-26-19-17(21)11-15(12-18(19)25-2)20(24)23(16-4-5-16)13-14-6-8-22-9-7-14/h6-9,11-12,16H,3-5,10,13H2,1-2H3
InChIKeyQARLRMGUUUPFCU-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.34
Rot. Bonds8

About 3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide

3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 55412139) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID55412139
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(Cc2ccncc2)C2CC2)cc1OC
InChIInChI=1S/C20H23ClN2O3/c1-3-10-26-19-17(21)11-15(12-18(19)25-2)20(24)23(16-4-5-16)13-14-6-8-22-9-7-14/h6-9,11-12,16H,3-5,10,13H2,1-2H3
InChIKeyQARLRMGUUUPFCU-UHFFFAOYSA-N
XLogP4.34
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 112792591
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid
CID 119195213
N-butyl-3-chloro-N-(1,1-dioxothiolan-3-yl)-5-methoxy-4-propoxybenzamide
CID 55377242
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
CID 18848866
3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide
CID 26972977
3-chloro-N,N-bis(cyanomethyl)-5-methoxy-4-propoxybenzamide
CID 78805821
2-[(3-bromo-5-methoxy-4-propoxybenzoyl)-cyclopropylamino]acetic acid
CID 119194756
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
4-butoxy-3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]benzamide
CID 2954169
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide (CID 55412139) is 3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide is CCCOc1c(Cl)cc(C(=O)N(Cc2ccncc2)C2CC2)cc1OC.
What is the InChIKey of 3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is QARLRMGUUUPFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-3-10-26-19-17(21)11-15(12-18(19)25-2)20(24)23(16-4-5-16)13-14-6-8-22-9-7-14/h6-9,11-12,16H,3-5,10,13H2,1-2H3.
What are the key properties of 3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide?
3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 374.87 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 55412139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).