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

C19H22FN3O2 — CID 38167098

IUPAC3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O2/c1-13(2)21-19(25)23-17-10-8-16(9-11-17)22-18(24)12-5-14-3-6-15(20)7-4-14/h3-4,6-11,13H,5,12H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyOSMKMDJYBNDYRD-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.93
Rot. Bonds6

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

3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide (PubChem CID 38167098) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
PubChem CID38167098
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O2/c1-13(2)21-19(25)23-17-10-8-16(9-11-17)22-18(24)12-5-14-3-6-15(20)7-4-14/h3-4,6-11,13H,5,12H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyOSMKMDJYBNDYRD-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-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38196539
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
3-(4-fluorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622806
3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119279237
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953
3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 120608573
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide (CID 38167098) is 3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide is CC(C)NC(=O)Nc1ccc(NC(=O)CCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The InChIKey is OSMKMDJYBNDYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13(2)21-19(25)23-17-10-8-16(9-11-17)22-18(24)12-5-14-3-6-15(20)7-4-14/h3-4,6-11,13H,5,12H2,1-2H3,(H,22,24)(H2,21,23,25).
What are the key properties of 3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide?
3-(4-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-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 38167098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).