N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

C27H30ClN3O3 — CID 46584040

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC(c2ccccc2Cl)N2CCCC2)ccc1OCc1cccnc1
InChIInChI=1S/C27H30ClN3O3/c1-2-33-26-16-21(11-12-25(26)34-19-20-8-7-13-29-17-20)27(32)30-18-24(31-14-5-6-15-31)22-9-3-4-10-23(22)28/h3-4,7-13,16-17,24H,2,5-6,14-15,18-19H2,1H3,(H,30,32)
InChIKeyIYTNXADJPLMFNY-UHFFFAOYSA-N
MW480.01 g/mol
LogP5.28
Rot. Bonds10

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 46584040) has the molecular formula C27H30ClN3O3 and a molecular weight of 480.01 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID46584040
Molecular FormulaC27H30ClN3O3
Molecular Weight480.01 g/mol
Exact Mass479.20
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC(c2ccccc2Cl)N2CCCC2)ccc1OCc1cccnc1
InChIInChI=1S/C27H30ClN3O3/c1-2-33-26-16-21(11-12-25(26)34-19-20-8-7-13-29-17-20)27(32)30-18-24(31-14-5-6-15-31)22-9-3-4-10-23(22)28/h3-4,7-13,16-17,24H,2,5-6,14-15,18-19H2,1H3,(H,30,32)
InChIKeyIYTNXADJPLMFNY-UHFFFAOYSA-N
XLogP5.28
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.01
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55853763
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
3-ethoxy-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55682964
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 43059032
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 46584168
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46593357
3-ethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39108144
3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 71848488
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (CID 46584040) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NCC(c2ccccc2Cl)N2CCCC2)ccc1OCc1cccnc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is IYTNXADJPLMFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O3/c1-2-33-26-16-21(11-12-25(26)34-19-20-8-7-13-29-17-20)27(32)30-18-24(31-14-5-6-15-31)22-9-3-4-10-23(22)28/h3-4,7-13,16-17,24H,2,5-6,14-15,18-19H2,1H3,(H,30,32).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 480.01 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 46584040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).