N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide

C15H22ClN3O — CID 43588022

IUPACN-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)c(N)c1)CC1CC1
InChIInChI=1S/C15H22ClN3O/c1-2-7-19(9-11-3-4-11)10-15(20)18-12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20)
InChIKeyDQCCIQOIFIPCBD-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.98
Rot. Bonds7

About N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide

N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide (PubChem CID 43588022) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
PubChem CID43588022
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)c(N)c1)CC1CC1
InChIInChI=1S/C15H22ClN3O/c1-2-7-19(9-11-3-4-11)10-15(20)18-12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20)
InChIKeyDQCCIQOIFIPCBD-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43587980
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588026
2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 86946251
N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61443934
N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63954898
N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 78821176
2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide
CID 86910871
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263033
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444928
2-[cyclopropylmethyl(propyl)amino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 86910911
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
CID 43587466
N-(3-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547619

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide (CID 43588022) is N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1ccc(Cl)c(N)c1)CC1CC1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
The InChIKey is DQCCIQOIFIPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-7-19(9-11-3-4-11)10-15(20)18-12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide is sourced from PubChem (CID 43588022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).