2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide

C14H20FN3O3 — CID 87014830

IUPAC2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide
SMILESCOCC(C)NC(=O)NC(=O)CN(C)c1ccc(F)cc1
InChIInChI=1S/C14H20FN3O3/c1-10(9-21-3)16-14(20)17-13(19)8-18(2)12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,16,17,19,20)
InChIKeyWRXIHNGFJRAYOK-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.12
Rot. Bonds6

About 2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide

2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide (PubChem CID 87014830) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide
PubChem CID87014830
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide
SMILESCOCC(C)NC(=O)NC(=O)CN(C)c1ccc(F)cc1
InChIInChI=1S/C14H20FN3O3/c1-10(9-21-3)16-14(20)17-13(19)8-18(2)12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,16,17,19,20)
InChIKeyWRXIHNGFJRAYOK-UHFFFAOYSA-N
XLogP1.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1-methylthiourea
CID 115587822
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251801
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251798
3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94811265
methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate
CID 60696764
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide
CID 47091665
2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 92517160
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7795155
1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51080192
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 52758463
4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide (CID 87014830) is 2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide is COCC(C)NC(=O)NC(=O)CN(C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide?
The InChIKey is WRXIHNGFJRAYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-10(9-21-3)16-14(20)17-13(19)8-18(2)12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide?
2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide has a molecular weight of 297.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 87014830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).