N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide

C14H20ClN3O — CID 43263776

IUPACN-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
SMILESCCN(C1CC1)C(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H20ClN3O/c1-3-18(11-5-6-11)9(2)14(19)17-13-8-10(15)4-7-12(13)16/h4,7-9,11H,3,5-6,16H2,1-2H3,(H,17,19)
InChIKeyIXCFTUDAJBSANA-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.73
Rot. Bonds5

About N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide

N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide (PubChem CID 43263776) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
PubChem CID43263776
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
SMILESCCN(C1CC1)C(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H20ClN3O/c1-3-18(11-5-6-11)9(2)14(19)17-13-8-10(15)4-7-12(13)16/h4,7-9,11H,3,5-6,16H2,1-2H3,(H,17,19)
InChIKeyIXCFTUDAJBSANA-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263787
N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
CID 79481495
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide
CID 43270011
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63955312
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374477
N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246069
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide
CID 43266191

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide (CID 43263776) is N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide is CCN(C1CC1)C(C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide?
The InChIKey is IXCFTUDAJBSANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-18(11-5-6-11)9(2)14(19)17-13-8-10(15)4-7-12(13)16/h4,7-9,11H,3,5-6,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide?
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide has a molecular weight of 281.79 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide is sourced from PubChem (CID 43263776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).