N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide

C17H23ClN2O3 — CID 164642595

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C[C@H]1CCCCN(C)C1=O
InChIInChI=1S/C17H23ClN2O3/c1-11-8-14(15(23-3)10-13(11)18)19-16(21)9-12-6-4-5-7-20(2)17(12)22/h8,10,12H,4-7,9H2,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyWBZIBFFPNPATKA-GFCCVEGCSA-N
MW338.84 g/mol
LogP3.24
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide (PubChem CID 164642595) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide
PubChem CID164642595
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C[C@H]1CCCCN(C)C1=O
InChIInChI=1S/C17H23ClN2O3/c1-11-8-14(15(23-3)10-13(11)18)19-16(21)9-12-6-4-5-7-20(2)17(12)22/h8,10,12H,4-7,9H2,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyWBZIBFFPNPATKA-GFCCVEGCSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032802
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CID 30097464
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 4810900
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 11913995
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47205603
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944484
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide
CID 110864549
2-(4-acetylpiperazin-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2563712
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98404869
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide (CID 164642595) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide is COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1CCCCN(C)C1=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide?
The InChIKey is WBZIBFFPNPATKA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11-8-14(15(23-3)10-13(11)18)19-16(21)9-12-6-4-5-7-20(2)17(12)22/h8,10,12H,4-7,9H2,1-3H3,(H,19,21)/t12-/m1/s1.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide has a molecular weight of 338.84 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 164642595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).