N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide

C14H20ClN3O — CID 43264571

IUPACN-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(Cl)cc1N)C1CC1
InChIInChI=1S/C14H20ClN3O/c1-18(11-5-6-11)8-2-3-14(19)17-13-7-4-10(15)9-12(13)16/h4,7,9,11H,2-3,5-6,8,16H2,1H3,(H,17,19)
InChIKeyUPZVUEWVMXCGPE-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.74
Rot. Bonds6

About N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide

N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide (PubChem CID 43264571) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
PubChem CID43264571
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(Cl)cc1N)C1CC1
InChIInChI=1S/C14H20ClN3O/c1-18(11-5-6-11)8-2-3-14(19)17-13-7-4-10(15)9-12(13)16/h4,7,9,11H,2-3,5-6,8,16H2,1H3,(H,17,19)
InChIKeyUPZVUEWVMXCGPE-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.74
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-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63693562
N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide
CID 43373835
N-(2-amino-5-chlorophenyl)-4-[methyl(thiolan-3-yl)amino]butanamide
CID 43296286
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295387
4-chloro-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62976267
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61431161
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide (CID 43264571) is N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide is CN(CCCC(=O)Nc1ccc(Cl)cc1N)C1CC1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide?
The InChIKey is UPZVUEWVMXCGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(11-5-6-11)8-2-3-14(19)17-13-7-4-10(15)9-12(13)16/h4,7,9,11H,2-3,5-6,8,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide?
N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide has a molecular weight of 281.79 g/mol, XLogP of 2.74, 6 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)-4-[cyclopropyl(methyl)amino]butanamide is sourced from PubChem (CID 43264571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).