2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide

C14H22FN3O — CID 63058426

IUPAC2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide
SMILESCC(C)CNCc1ccc(N(C)CC(N)=O)c(F)c1
InChIInChI=1S/C14H22FN3O/c1-10(2)7-17-8-11-4-5-13(12(15)6-11)18(3)9-14(16)19/h4-6,10,17H,7-9H2,1-3H3,(H2,16,19)
InChIKeyOJQJRFJOASIFQQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.49
Rot. Bonds7

About 2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide

2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide (PubChem CID 63058426) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide
PubChem CID63058426
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide
SMILESCC(C)CNCc1ccc(N(C)CC(N)=O)c(F)c1
InChIInChI=1S/C14H22FN3O/c1-10(2)7-17-8-11-4-5-13(12(15)6-11)18(3)9-14(16)19/h4-6,10,17H,7-9H2,1-3H3,(H2,16,19)
InChIKeyOJQJRFJOASIFQQ-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723
N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 107688867
2-[2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]anilino]-N,N-dimethylacetamide
CID 43375206
2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63059851
2-[2-chloro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 81149643
2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63072263
methyl 2-fluoro-4-[(2-methylpropylamino)methyl]benzoate
CID 106699480
N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
CID 79480652
2-[4-chloro-N-methyl-2-[(2-methylpropylamino)methyl]anilino]-N,N-dimethylacetamide
CID 114848175
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol
CID 111440118

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide?
The IUPAC name of 2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide (CID 63058426) is 2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide.
What is the SMILES notation for 2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide?
The canonical SMILES for 2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide is CC(C)CNCc1ccc(N(C)CC(N)=O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide?
The InChIKey is OJQJRFJOASIFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10(2)7-17-8-11-4-5-13(12(15)6-11)18(3)9-14(16)19/h4-6,10,17H,7-9H2,1-3H3,(H2,16,19).
What are the key properties of 2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide?
2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide has a molecular weight of 267.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide is sourced from PubChem (CID 63058426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).