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

C14H20FN3O — CID 63957144

IUPACN-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(F)cc1N)CC1CC1
InChIInChI=1S/C14H20FN3O/c1-2-18(8-10-3-4-10)9-14(19)17-13-6-5-11(15)7-12(13)16/h5-7,10H,2-4,8-9,16H2,1H3,(H,17,19)
InChIKeyUROHLRWVAVBCQD-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.08
Rot. Bonds6

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

N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide (PubChem CID 63957144) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
PubChem CID63957144
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(F)cc1N)CC1CC1
InChIInChI=1S/C14H20FN3O/c1-2-18(8-10-3-4-10)9-14(19)17-13-6-5-11(15)7-12(13)16/h5-7,10H,2-4,8-9,16H2,1H3,(H,17,19)
InChIKeyUROHLRWVAVBCQD-UHFFFAOYSA-N
XLogP2.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.08
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(ethyl)amino]acetamide
CID 63955922
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 61439173
N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63954898
N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547972
N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide
CID 16788040
N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263780
2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 86946248
N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
CID 82732986
N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43587980
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588026
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide (CID 63957144) is N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide is CCN(CC(=O)Nc1ccc(F)cc1N)CC1CC1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
The InChIKey is UROHLRWVAVBCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-2-18(8-10-3-4-10)9-14(19)17-13-6-5-11(15)7-12(13)16/h5-7,10H,2-4,8-9,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide has a molecular weight of 265.33 g/mol, XLogP of 2.08, 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-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide is sourced from PubChem (CID 63957144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).