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

C14H20ClN3O — CID 63955922

IUPACN-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(N)cc1Cl)CC1CC1
InChIInChI=1S/C14H20ClN3O/c1-2-18(8-10-3-4-10)9-14(19)17-13-6-5-11(16)7-12(13)15/h5-7,10H,2-4,8-9,16H2,1H3,(H,17,19)
InChIKeyIVDGSDIQHBBORL-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.59
Rot. Bonds6

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

N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide (PubChem CID 63955922) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
PubChem CID63955922
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(N)cc1Cl)CC1CC1
InChIInChI=1S/C14H20ClN3O/c1-2-18(8-10-3-4-10)9-14(19)17-13-6-5-11(16)7-12(13)15/h5-7,10H,2-4,8-9,16H2,1H3,(H,17,19)
InChIKeyIVDGSDIQHBBORL-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588026
2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 86946248
N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63957144
N-(4-amino-2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384076
2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 86946251
2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921849
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955371
N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63954898
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
CID 103101430

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide (CID 63955922) is N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide is CCN(CC(=O)Nc1ccc(N)cc1Cl)CC1CC1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
The InChIKey is IVDGSDIQHBBORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-18(8-10-3-4-10)9-14(19)17-13-6-5-11(16)7-12(13)15/h5-7,10H,2-4,8-9,16H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide has a molecular weight of 281.79 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide is sourced from PubChem (CID 63955922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).