N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide

C14H20ClN3O — CID 43568654

IUPACN-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
SMILESCC(C1CC1)N(C)CC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9(10-3-4-10)18(2)8-14(19)17-13-7-11(16)5-6-12(13)15/h5-7,9-10H,3-4,8,16H2,1-2H3,(H,17,19)
InChIKeyQXRINNLTZVWBKZ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.59
Rot. Bonds5

About N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide

N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide (PubChem CID 43568654) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
PubChem CID43568654
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
SMILESCC(C1CC1)N(C)CC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9(10-3-4-10)18(2)8-14(19)17-13-7-11(16)5-6-12(13)15/h5-7,9-10H,3-4,8,16H2,1-2H3,(H,17,19)
InChIKeyQXRINNLTZVWBKZ-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.59
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-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568692
N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 43613723
N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43376037
N-(2-amino-4-methoxyphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568691
N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide
CID 54992924
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-cyclohexylacetamide
CID 43548756
N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide
CID 63834271
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide
CID 116652730
N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61421770
N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331552

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide (CID 43568654) is N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide is CC(C1CC1)N(C)CC(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide?
The InChIKey is QXRINNLTZVWBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9(10-3-4-10)18(2)8-14(19)17-13-7-11(16)5-6-12(13)15/h5-7,9-10H,3-4,8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide?
N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide has a molecular weight of 281.79 g/mol, XLogP of 2.59, 5 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-[1-cyclopropylethyl(methyl)amino]acetamide is sourced from PubChem (CID 43568654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).