2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide

C16H22F2N2O — CID 60938567

IUPAC2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
SMILESCCC(C)NCC(=O)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C16H22F2N2O/c1-3-11(2)19-9-16(21)20(14-6-7-14)10-12-4-5-13(17)8-15(12)18/h4-5,8,11,14,19H,3,6-7,9-10H2,1-2H3
InChIKeyRRFXPYJZKRTSEX-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.84
Rot. Bonds7

About 2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide

2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide (PubChem CID 60938567) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
PubChem CID60938567
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
SMILESCCC(C)NCC(=O)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C16H22F2N2O/c1-3-11(2)19-9-16(21)20(14-6-7-14)10-12-4-5-13(17)8-15(12)18/h4-5,8,11,14,19H,3,6-7,9-10H2,1-2H3
InChIKeyRRFXPYJZKRTSEX-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide
CID 62838323
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79286156
N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide
CID 62837784
N-cyclopropyl-N-ethyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347384
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
3-[cyclopropyl-[2-(2,4-difluorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 120535316
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
CID 112816229

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide (CID 60938567) is 2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide is CCC(C)NCC(=O)N(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of 2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide?
The InChIKey is RRFXPYJZKRTSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-3-11(2)19-9-16(21)20(14-6-7-14)10-12-4-5-13(17)8-15(12)18/h4-5,8,11,14,19H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide?
2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide has a molecular weight of 296.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 60938567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).