2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide

C19H22FN3O3 — CID 38196743

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1F
InChIInChI=1S/C19H22FN3O3/c1-12(2)21-19(25)23-15-7-5-14(6-8-15)22-18(24)11-13-4-9-17(26-3)16(20)10-13/h4-10,12H,11H2,1-3H3,(H,22,24)(H2,21,23,25)
InChIKeyNJGCQOGOGVYEOE-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.55
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide

2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide (PubChem CID 38196743) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
PubChem CID38196743
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1F
InChIInChI=1S/C19H22FN3O3/c1-12(2)21-19(25)23-15-7-5-14(6-8-15)22-18(24)11-13-4-9-17(26-3)16(20)10-13/h4-10,12H,11H2,1-3H3,(H,22,24)(H2,21,23,25)
InChIKeyNJGCQOGOGVYEOE-UHFFFAOYSA-N
XLogP3.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9046569
2-(3-fluoro-4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 39953694
1-[4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 39666239
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
2-naphthalen-2-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196427
2-(4-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 43380396
(3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887523
2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide
CID 43380838
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667089
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667288
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide (CID 38196743) is 2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The InChIKey is NJGCQOGOGVYEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12(2)21-19(25)23-15-7-5-14(6-8-15)22-18(24)11-13-4-9-17(26-3)16(20)10-13/h4-10,12H,11H2,1-3H3,(H,22,24)(H2,21,23,25).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide has a molecular weight of 359.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 38196743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).