4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide

C18H20F2N2O2 — CID 111434565

IUPAC4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1ccc(NCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O2/c1-2-14(11-23)22-18(24)13-4-6-15(7-5-13)21-10-12-3-8-16(19)17(20)9-12/h3-9,14,21,23H,2,10-11H2,1H3,(H,22,24)
InChIKeyQYPJEQMXSAUKDM-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.08
Rot. Bonds7

About 4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide

4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide (PubChem CID 111434565) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide
PubChem CID111434565
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1ccc(NCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O2/c1-2-14(11-23)22-18(24)13-4-6-15(7-5-13)21-10-12-3-8-16(19)17(20)9-12/h3-9,14,21,23H,2,10-11H2,1H3,(H,22,24)
InChIKeyQYPJEQMXSAUKDM-UHFFFAOYSA-N
XLogP3.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide
CID 111778068
4-butan-2-yl-N-[(3,4-difluorophenyl)methyl]aniline
CID 43230078
N-(1-chlorobutan-2-yl)-3,4-difluorobenzamide
CID 114294264
4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide
CID 111970105
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
CID 43744882
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide?
The IUPAC name of 4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide (CID 111434565) is 4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide is CCC(CO)NC(=O)c1ccc(NCc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide?
The InChIKey is QYPJEQMXSAUKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-2-14(11-23)22-18(24)13-4-6-15(7-5-13)21-10-12-3-8-16(19)17(20)9-12/h3-9,14,21,23H,2,10-11H2,1H3,(H,22,24).
What are the key properties of 4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide?
4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide has a molecular weight of 334.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 111434565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).