3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide

C19H22FN3O2 — CID 38196539

IUPAC3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCc2ccccc2F)cc1
InChIInChI=1S/C19H22FN3O2/c1-13(2)21-19(25)23-16-10-8-15(9-11-16)22-18(24)12-7-14-5-3-4-6-17(14)20/h3-6,8-11,13H,7,12H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyDPGMYEZMFHDXMJ-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.93
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide

3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide (PubChem CID 38196539) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
PubChem CID38196539
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCc2ccccc2F)cc1
InChIInChI=1S/C19H22FN3O2/c1-13(2)21-19(25)23-16-10-8-15(9-11-16)22-18(24)12-7-14-5-3-4-6-17(14)20/h3-6,8-11,13H,7,12H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyDPGMYEZMFHDXMJ-UHFFFAOYSA-N
XLogP3.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 120608573
3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119279237
3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38167098
1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052737
3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26716432
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 47067445
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
methyl 3-[[4-[3-(2-fluorophenyl)propanoylamino]benzoyl]amino]propanoate
CID 86917315
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
1-[4-[[[N-[2-(2-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111363080
2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38175338
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide (CID 38196539) is 3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide is CC(C)NC(=O)Nc1ccc(NC(=O)CCc2ccccc2F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The InChIKey is DPGMYEZMFHDXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13(2)21-19(25)23-16-10-8-15(9-11-16)22-18(24)12-7-14-5-3-4-6-17(14)20/h3-6,8-11,13H,7,12H2,1-2H3,(H,22,24)(H2,21,23,25).
What are the key properties of 3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide?
3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide has a molecular weight of 343.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 38196539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).