N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide

C16H24ClN3O — CID 43613723

IUPACN-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(N)ccc1Cl)C1CCCCCC1
InChIInChI=1S/C16H24ClN3O/c1-20(13-6-4-2-3-5-7-13)11-16(21)19-15-10-12(18)8-9-14(15)17/h8-10,13H,2-7,11,18H2,1H3,(H,19,21)
InChIKeyKPUMNXOCRGJDPK-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.52
Rot. Bonds4

About N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide

N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide (PubChem CID 43613723) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide
PubChem CID43613723
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(N)ccc1Cl)C1CCCCCC1
InChIInChI=1S/C16H24ClN3O/c1-20(13-6-4-2-3-5-7-13)11-16(21)19-15-10-12(18)8-9-14(15)17/h8-10,13H,2-7,11,18H2,1H3,(H,19,21)
InChIKeyKPUMNXOCRGJDPK-UHFFFAOYSA-N
XLogP3.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568654
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 1021971
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-N-methylanilino)acetamide
CID 107733825
N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43376037
N-(5-amino-2-chlorophenyl)-2-(cyclopentylmethylsulfinyl)acetamide
CID 63119546
2-[acetyl(cyclohexyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 113159584
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide (CID 43613723) is N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide is CN(CC(=O)Nc1cc(N)ccc1Cl)C1CCCCCC1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide?
The InChIKey is KPUMNXOCRGJDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-20(13-6-4-2-3-5-7-13)11-16(21)19-15-10-12(18)8-9-14(15)17/h8-10,13H,2-7,11,18H2,1H3,(H,19,21).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide?
N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide has a molecular weight of 309.84 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide is sourced from PubChem (CID 43613723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).