N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide

C14H19FN2O2 — CID 61488261

IUPACN-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide
SMILESCCN(C(=O)CNc1ccc(OC)c(F)c1)C1CC1
InChIInChI=1S/C14H19FN2O2/c1-3-17(11-5-6-11)14(18)9-16-10-4-7-13(19-2)12(15)8-10/h4,7-8,11,16H,3,5-6,9H2,1-2H3
InChIKeyPWNKEPWMGFXLMW-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.26
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide

N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide (PubChem CID 61488261) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide
PubChem CID61488261
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide
SMILESCCN(C(=O)CNc1ccc(OC)c(F)c1)C1CC1
InChIInChI=1S/C14H19FN2O2/c1-3-17(11-5-6-11)14(18)9-16-10-4-7-13(19-2)12(15)8-10/h4,7-8,11,16H,3,5-6,9H2,1-2H3
InChIKeyPWNKEPWMGFXLMW-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide
CID 43380729
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide
CID 61488089
2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide
CID 55437224
2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide
CID 65475664
N-cyclopentyl-N-ethyl-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134060945
3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid
CID 61199769
2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide
CID 43380838
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
N-cyclohexyl-N-ethyl-2-(2-methoxyanilino)acetamide
CID 78782325
(E)-4-(3-fluoro-4-methoxyanilino)-3-methylbut-2-enoic acid
CID 103237877
2-(5-acetamido-2-methoxyanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520987
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide
CID 109003567

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide (CID 61488261) is N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide is CCN(C(=O)CNc1ccc(OC)c(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide?
The InChIKey is PWNKEPWMGFXLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-17(11-5-6-11)14(18)9-16-10-4-7-13(19-2)12(15)8-10/h4,7-8,11,16H,3,5-6,9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide?
N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide has a molecular weight of 266.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide is sourced from PubChem (CID 61488261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).