2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide

C14H20ClN3O2 — CID 65026244

IUPAC2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
SMILESCOc1ccc(C(C(N)=O)N2CCCNCC2)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-20-12-4-3-10(9-11(12)15)13(14(16)19)18-7-2-5-17-6-8-18/h3-4,9,13,17H,2,5-8H2,1H3,(H2,16,19)
InChIKeyKUAJXZVSJAKADS-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.17
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide

2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 65026244) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
PubChem CID65026244
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
SMILESCOc1ccc(C(C(N)=O)N2CCCNCC2)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-20-12-4-3-10(9-11(12)15)13(14(16)19)18-7-2-5-17-6-8-18/h3-4,9,13,17H,2,5-8H2,1H3,(H2,16,19)
InChIKeyKUAJXZVSJAKADS-UHFFFAOYSA-N
XLogP1.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetic acid
CID 65026467
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 61006005
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
methyl 2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 54890533
methyl 2-(1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)acetate
CID 60993819
2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
CID 112539474
2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide
CID 60995776
2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
CID 55039331
2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide
CID 54892096
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
methyl 2-(3-bromo-4-fluorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 60994255
1-[(3,4-dichlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3504603

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide (CID 65026244) is 2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide is COc1ccc(C(C(N)=O)N2CCCNCC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is KUAJXZVSJAKADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-20-12-4-3-10(9-11(12)15)13(14(16)19)18-7-2-5-17-6-8-18/h3-4,9,13,17H,2,5-8H2,1H3,(H2,16,19).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide?
2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 297.79 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 65026244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).