N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide

C19H22FN3O2 — CID 54813431

IUPACN-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O2/c1-13(2)11-18(24)22-16-7-9-17(10-8-16)23-19(25)12-21-15-5-3-14(20)4-6-15/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKRKMAZUHERMBJG-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.86
Rot. Bonds7

About N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide

N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide (PubChem CID 54813431) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
PubChem CID54813431
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O2/c1-13(2)11-18(24)22-16-7-9-17(10-8-16)23-19(25)12-21-15-5-3-14(20)4-6-15/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKRKMAZUHERMBJG-UHFFFAOYSA-N
XLogP3.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
methyl 4-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]benzoate
CID 54816789
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278
N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 79250136
N-(4-fluorophenyl)-2-(2-hydroxypropylamino)acetamide
CID 43389711
N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54817342
N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54809091
N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831753
3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
3-methyl-N-[4-(pentylamino)phenyl]butanamide
CID 112985181

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide (CID 54813431) is N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide?
The InChIKey is KRKMAZUHERMBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13(2)11-18(24)22-16-7-9-17(10-8-16)23-19(25)12-21-15-5-3-14(20)4-6-15/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide?
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide has a molecular weight of 343.40 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 54813431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).