N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide

C14H22ClN3O — CID 63982422

IUPACN-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
SMILESCCC(C)(C)N(C)CC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H22ClN3O/c1-5-14(2,3)18(4)9-13(19)17-10-6-7-11(15)12(16)8-10/h6-8H,5,9,16H2,1-4H3,(H,17,19)
InChIKeyVXMPJCNAXCQZBV-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.98
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide

N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide (PubChem CID 63982422) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
PubChem CID63982422
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
SMILESCCC(C)(C)N(C)CC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H22ClN3O/c1-5-14(2,3)18(4)9-13(19)17-10-6-7-11(15)12(16)8-10/h6-8H,5,9,16H2,1-4H3,(H,17,19)
InChIKeyVXMPJCNAXCQZBV-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.98
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-(3-amino-4-methylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
CID 63983055
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263033
N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79385071
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
CID 43587466
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477796
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444928
N-(3-amino-4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62984614
3-(3-amino-4-chlorophenyl)-1,1-dimethylurea
CID 79154275
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022
N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61443934
N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694949

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide (CID 63982422) is N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide is CCC(C)(C)N(C)CC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide?
The InChIKey is VXMPJCNAXCQZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-5-14(2,3)18(4)9-13(19)17-10-6-7-11(15)12(16)8-10/h6-8H,5,9,16H2,1-4H3,(H,17,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide?
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide has a molecular weight of 283.80 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide is sourced from PubChem (CID 63982422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).