2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide

C15H20F2N2O — CID 119809188

IUPAC2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)CNCC1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O/c1-15(2,11-5-6-12(16)13(17)7-11)19-14(20)9-18-8-10-3-4-10/h5-7,10,18H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyQBMKMYQUFBHLMM-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.32
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide

2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide (PubChem CID 119809188) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide
PubChem CID119809188
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)CNCC1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O/c1-15(2,11-5-6-12(16)13(17)7-11)19-14(20)9-18-8-10-3-4-10/h5-7,10,18H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyQBMKMYQUFBHLMM-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Remacemide Hydrochloride
CID 60510
Remacemide
CID 60511
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2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
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2-(Benzylamino)acetamide
CID 433982
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-phenylethyl]amino}pentanamide
CID 23648299
2(1H)-Pyridinone, 5-ethyl-3-(((2-fluorophenyl)methyl)amino)-6-methyl-
CID 454353
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 4963907
2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9363380
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 16283470
(2S)-N-(1-cyanocyclopropyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]pentanamide
CID 67298247
(2S)-N-(1-cyanocyclopropyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino]pentanamide
CID 67298501

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide (CID 119809188) is 2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide is CC(C)(NC(=O)CNCC1CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide?
The InChIKey is QBMKMYQUFBHLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-15(2,11-5-6-12(16)13(17)7-11)19-14(20)9-18-8-10-3-4-10/h5-7,10,18H,3-4,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide?
2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide has a molecular weight of 282.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 119809188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).