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

C13H18ClN3O — CID 43264543

IUPACN-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1N)N(C)C1CC1
InChIInChI=1S/C13H18ClN3O/c1-8(17(2)10-4-5-10)13(18)16-12-7-9(14)3-6-11(12)15/h3,6-8,10H,4-5,15H2,1-2H3,(H,16,18)
InChIKeyRIEPSBRMLGGQNM-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.34
Rot. Bonds4

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

N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide (PubChem CID 43264543) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide
PubChem CID43264543
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1N)N(C)C1CC1
InChIInChI=1S/C13H18ClN3O/c1-8(17(2)10-4-5-10)13(18)16-12-7-9(14)3-6-11(12)15/h3,6-8,10H,4-5,15H2,1-2H3,(H,16,18)
InChIKeyRIEPSBRMLGGQNM-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.34
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)-2-[cyclopentyl(methyl)amino]propanamide
CID 43266814
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263776
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374477
N-(4-amino-2-methoxyphenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264583
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246069
N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
CID 79481495
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62546374
N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide
CID 3400010

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide (CID 43264543) is N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide is CC(C(=O)Nc1cc(Cl)ccc1N)N(C)C1CC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide?
The InChIKey is RIEPSBRMLGGQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-8(17(2)10-4-5-10)13(18)16-12-7-9(14)3-6-11(12)15/h3,6-8,10H,4-5,15H2,1-2H3,(H,16,18).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide?
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide has a molecular weight of 267.76 g/mol, XLogP of 2.34, 4 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(methyl)amino]propanamide is sourced from PubChem (CID 43264543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).