2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide

C22H27Cl2N3O4 — CID 142586796

IUPAC2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
SMILESNC(=O)COc1ccc(Cl)c(Cl)c1.O=C(NCc1cc(CO)ccn1)C1CCCCC1
InChIInChI=1S/C14H20N2O2.C8H7Cl2NO2/c17-10-11-6-7-15-13(8-11)9-16-14(18)12-4-2-1-3-5-12;9-6-2-1-5(3-7(6)10)13-4-8(11)12/h6-8,12,17H,1-5,9-10H2,(H,16,18);1-3H,4H2,(H2,11,12)
InChIKeyJHAJIVRGUOOYHA-UHFFFAOYSA-N
MW468.38 g/mol
LogP3.63
Rot. Bonds7

About 2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide

2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide (PubChem CID 142586796) has the molecular formula C22H27Cl2N3O4 and a molecular weight of 468.38 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
PubChem CID142586796
Molecular FormulaC22H27Cl2N3O4
Molecular Weight468.38 g/mol
Exact Mass467.14
IUPAC Name2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
SMILESNC(=O)COc1ccc(Cl)c(Cl)c1.O=C(NCc1cc(CO)ccn1)C1CCCCC1
InChIInChI=1S/C14H20N2O2.C8H7Cl2NO2/c17-10-11-6-7-15-13(8-11)9-16-14(18)12-4-2-1-3-5-12;9-6-2-1-5(3-7(6)10)13-4-8(11)12/h6-8,12,17H,1-5,9-10H2,(H,16,18);1-3H,4H2,(H2,11,12)
InChIKeyJHAJIVRGUOOYHA-UHFFFAOYSA-N
XLogP3.63
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.38
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
CID 142586783
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]cyclohexanecarboxamide
CID 122262450
(3R)-1-[2-(3,4-dichlorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81126899
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
N-[[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]cycloheptanecarboxamide
CID 86777165
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide
CID 110672196
4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146108
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
CID 122261740
2-(4-bromo-3-chlorophenoxy)acetamide
CID 130655715

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide (CID 142586796) is 2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide is NC(=O)COc1ccc(Cl)c(Cl)c1.O=C(NCc1cc(CO)ccn1)C1CCCCC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide?
The InChIKey is JHAJIVRGUOOYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C8H7Cl2NO2/c17-10-11-6-7-15-13(8-11)9-16-14(18)12-4-2-1-3-5-12;9-6-2-1-5(3-7(6)10)13-4-8(11)12/h6-8,12,17H,1-5,9-10H2,(H,16,18);1-3H,4H2,(H2,11,12).
What are the key properties of 2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide?
2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide has a molecular weight of 468.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 142586796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).