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

C19H22F2N2O2 — CID 111778068

IUPAC2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)Cc1ccc(NCc2cccc(F)c2F)cc1
InChIInChI=1S/C19H22F2N2O2/c1-2-15(12-24)23-18(25)10-13-6-8-16(9-7-13)22-11-14-4-3-5-17(20)19(14)21/h3-9,15,22,24H,2,10-12H2,1H3,(H,23,25)
InChIKeyQFVYUKNWNNAWBC-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.01
Rot. Bonds8

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

2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide (PubChem CID 111778068) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide
PubChem CID111778068
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)Cc1ccc(NCc2cccc(F)c2F)cc1
InChIInChI=1S/C19H22F2N2O2/c1-2-15(12-24)23-18(25)10-13-6-8-16(9-7-13)22-11-14-4-3-5-17(20)19(14)21/h3-9,15,22,24H,2,10-12H2,1H3,(H,23,25)
InChIKeyQFVYUKNWNNAWBC-UHFFFAOYSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol
CID 93043909
N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide
CID 111524099
N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide
CID 110466057
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide
CID 111434565
N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide
CID 110025985
2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide
CID 97245023
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
2-(2-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920161
N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline
CID 43425578
N-[(2R)-1-hydroxybutan-2-yl]-2-pyridin-4-ylacetamide
CID 103961002
methyl 5-[(2,3-difluorophenyl)methylamino]-2-fluorobenzoate
CID 63667213

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide (CID 111778068) is 2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide is CCC(CO)NC(=O)Cc1ccc(NCc2cccc(F)c2F)cc1.
What is the InChIKey of 2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide?
The InChIKey is QFVYUKNWNNAWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-2-15(12-24)23-18(25)10-13-6-8-16(9-7-13)22-11-14-4-3-5-17(20)19(14)21/h3-9,15,22,24H,2,10-12H2,1H3,(H,23,25).
What are the key properties of 2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide?
2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide has a molecular weight of 348.39 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 111778068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).