N-(3-fluorophenyl)-3-(4-methylanilino)propanamide

C16H17FN2O — CID 109034497

IUPACN-(3-fluorophenyl)-3-(4-methylanilino)propanamide
SMILESCc1ccc(NCCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O/c1-12-5-7-14(8-6-12)18-10-9-16(20)19-15-4-2-3-13(17)11-15/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyJWCMXYZSKDGTPW-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.57
Rot. Bonds5

About N-(3-fluorophenyl)-3-(4-methylanilino)propanamide

N-(3-fluorophenyl)-3-(4-methylanilino)propanamide (PubChem CID 109034497) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(4-methylanilino)propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(4-methylanilino)propanamide
PubChem CID109034497
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(3-fluorophenyl)-3-(4-methylanilino)propanamide
SMILESCc1ccc(NCCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O/c1-12-5-7-14(8-6-12)18-10-9-16(20)19-15-4-2-3-13(17)11-15/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyJWCMXYZSKDGTPW-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643
3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
3-(4-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109034139
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035
3-(4-bromo-2-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042029
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(4-methylanilino)propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-(4-methylanilino)propanamide (CID 109034497) is N-(3-fluorophenyl)-3-(4-methylanilino)propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(4-methylanilino)propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(4-methylanilino)propanamide is Cc1ccc(NCCC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-3-(4-methylanilino)propanamide?
The InChIKey is JWCMXYZSKDGTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-12-5-7-14(8-6-12)18-10-9-16(20)19-15-4-2-3-13(17)11-15/h2-8,11,18H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(3-fluorophenyl)-3-(4-methylanilino)propanamide?
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide has a molecular weight of 272.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(4-methylanilino)propanamide is sourced from PubChem (CID 109034497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).