N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide

C15H22ClN3O — CID 63955312

IUPACN-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
SMILESCCN(CC1CC1)C(C)C(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C15H22ClN3O/c1-3-19(9-11-4-5-11)10(2)15(20)18-14-7-6-12(16)8-13(14)17/h6-8,10-11H,3-5,9,17H2,1-2H3,(H,18,20)
InChIKeyKKVYEBAFEZGECL-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.98
Rot. Bonds6

About N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide

N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (PubChem CID 63955312) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
PubChem CID63955312
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
SMILESCCN(CC1CC1)C(C)C(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C15H22ClN3O/c1-3-19(9-11-4-5-11)10(2)15(20)18-14-7-6-12(16)8-13(14)17/h6-8,10-11H,3-5,9,17H2,1-2H3,(H,18,20)
InChIKeyKKVYEBAFEZGECL-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.98
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-methoxyphenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63954097
N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63696100
N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide
CID 43266814
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63957045
N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
CID 79481495
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263776
N-(2-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373834
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
N-(2-amino-4-chlorophenyl)-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425953
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(2-amino-4-methoxyphenyl)-2-[ethyl(2-methoxyethyl)amino]propanamide
CID 61444389
N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053275

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (CID 63955312) is N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide is CCN(CC1CC1)C(C)C(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide?
The InChIKey is KKVYEBAFEZGECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-19(9-11-4-5-11)10(2)15(20)18-14-7-6-12(16)8-13(14)17/h6-8,10-11H,3-5,9,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide?
N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide has a molecular weight of 295.81 g/mol, XLogP of 2.98, 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)-2-[cyclopropylmethyl(ethyl)amino]propanamide is sourced from PubChem (CID 63955312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).