N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide

C14H21FN2O — CID 54954667

IUPACN-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
SMILESCCC(NCC(=O)Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H21FN2O/c1-4-13(10(2)3)16-9-14(18)17-12-7-5-11(15)6-8-12/h5-8,10,13,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyFPEQFANDUPJHGV-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.79
Rot. Bonds6

About N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide

N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide (PubChem CID 54954667) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
PubChem CID54954667
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
SMILESCCC(NCC(=O)Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H21FN2O/c1-4-13(10(2)3)16-9-14(18)17-12-7-5-11(15)6-8-12/h5-8,10,13,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyFPEQFANDUPJHGV-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 79250136
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
N-(3-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954669
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 104696173
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide
CID 83143170
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
N-(4-fluorophenyl)-2-(2-hydroxypropylamino)acetamide
CID 43389711
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide (CID 54954667) is N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide is CCC(NCC(=O)Nc1ccc(F)cc1)C(C)C.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide?
The InChIKey is FPEQFANDUPJHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-13(10(2)3)16-9-14(18)17-12-7-5-11(15)6-8-12/h5-8,10,13,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide?
N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide has a molecular weight of 252.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide is sourced from PubChem (CID 54954667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).