N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide

C15H22ClN3O — CID 43266814

IUPACN-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1N)N(C)C1CCCC1
InChIInChI=1S/C15H22ClN3O/c1-10(19(2)12-5-3-4-6-12)15(20)18-14-8-7-11(16)9-13(14)17/h7-10,12H,3-6,17H2,1-2H3,(H,18,20)
InChIKeyDPGWRNWVGSLIIP-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.12
Rot. Bonds4

About N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide

N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide (PubChem CID 43266814) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide
PubChem CID43266814
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1N)N(C)C1CCCC1
InChIInChI=1S/C15H22ClN3O/c1-10(19(2)12-5-3-4-6-12)15(20)18-14-8-7-11(16)9-13(14)17/h7-10,12H,3-6,17H2,1-2H3,(H,18,20)
InChIKeyDPGWRNWVGSLIIP-UHFFFAOYSA-N
XLogP3.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.12
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-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264543
N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63955312
N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide
CID 3400010
N-(2-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373834
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
N-(2-amino-4-chlorophenyl)-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425953
N-(4-amino-2-methoxyphenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264583
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263776
N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62546374
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053275
N-(2-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547439

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide (CID 43266814) is N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide is CC(C(=O)Nc1ccc(Cl)cc1N)N(C)C1CCCC1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide?
The InChIKey is DPGWRNWVGSLIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10(19(2)12-5-3-4-6-12)15(20)18-14-8-7-11(16)9-13(14)17/h7-10,12H,3-6,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide?
N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide has a molecular weight of 295.81 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide is sourced from PubChem (CID 43266814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).