3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide

C19H23FN2O2 — CID 86891137

IUPAC3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide
SMILESCC(C)Oc1ccccc1CN(CCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-14(2)24-18-6-4-3-5-15(18)13-22(12-11-19(21)23)17-9-7-16(20)8-10-17/h3-10,14H,11-13H2,1-2H3,(H2,21,23)
InChIKeyRYOBTMRGHYWOGU-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.49
Rot. Bonds8

About 3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide

3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide (PubChem CID 86891137) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide.

Molecular Properties

Compound Name3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide
PubChem CID86891137
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide
SMILESCC(C)Oc1ccccc1CN(CCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-14(2)24-18-6-4-3-5-15(18)13-22(12-11-19(21)23)17-9-7-16(20)8-10-17/h3-10,14H,11-13H2,1-2H3,(H2,21,23)
InChIKeyRYOBTMRGHYWOGU-UHFFFAOYSA-N
XLogP3.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide
CID 66679983
3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide
CID 86891133
3-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]propanoic acid
CID 119911747
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
N-[(4-fluorophenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 124505025
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
O-propan-2-yl [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl]sulfanylmethanethioate
CID 47044715
5-[(N-(3-amino-3-oxopropyl)-4-methoxyanilino)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 43048714
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide
CID 111448247
3-[N-[(5-fluoro-2-methylphenyl)methyl]anilino]propanoic acid
CID 105372393

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide?
The IUPAC name of 3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide (CID 86891137) is 3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide.
What is the SMILES notation for 3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide?
The canonical SMILES for 3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide is CC(C)Oc1ccccc1CN(CCC(N)=O)c1ccc(F)cc1.
What is the InChIKey of 3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide?
The InChIKey is RYOBTMRGHYWOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14(2)24-18-6-4-3-5-15(18)13-22(12-11-19(21)23)17-9-7-16(20)8-10-17/h3-10,14H,11-13H2,1-2H3,(H2,21,23).
What are the key properties of 3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide?
3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide has a molecular weight of 330.40 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide is sourced from PubChem (CID 86891137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).