N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide

C16H24ClN3O — CID 63633289

IUPACN-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(N)cc1Cl)CC1CCCC1
InChIInChI=1S/C16H24ClN3O/c1-20(11-12-4-2-3-5-12)9-8-16(21)19-15-7-6-13(18)10-14(15)17/h6-7,10,12H,2-5,8-9,11,18H2,1H3,(H,19,21)
InChIKeyUCWAEEZNQFWHAW-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.37
Rot. Bonds6

About N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide

N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide (PubChem CID 63633289) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
PubChem CID63633289
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(N)cc1Cl)CC1CCCC1
InChIInChI=1S/C16H24ClN3O/c1-20(11-12-4-2-3-5-12)9-8-16(21)19-15-7-6-13(18)10-14(15)17/h6-7,10,12H,2-5,8-9,11,18H2,1H3,(H,19,21)
InChIKeyUCWAEEZNQFWHAW-UHFFFAOYSA-N
XLogP3.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.37
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-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
CID 62861624
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862492
N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884054
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102860273
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588026
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
N-(4-amino-2-chlorophenyl)-2-(cyclopentylmethoxy)acetamide
CID 66324082
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914665
N-(4-amino-2-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81035190

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide (CID 63633289) is N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide is CN(CCC(=O)Nc1ccc(N)cc1Cl)CC1CCCC1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide?
The InChIKey is UCWAEEZNQFWHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-20(11-12-4-2-3-5-12)9-8-16(21)19-15-7-6-13(18)10-14(15)17/h6-7,10,12H,2-5,8-9,11,18H2,1H3,(H,19,21).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide?
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide has a molecular weight of 309.84 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 63633289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).