N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide

C15H18F2N2O — CID 79286156

IUPACN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C15H18F2N2O/c1-2-7-18-9-15(20)19(13-5-6-13)10-11-3-4-12(16)8-14(11)17/h2-4,8,13,18H,1,5-7,9-10H2
InChIKeyNJUXVGSJIDZUES-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.23
Rot. Bonds7

About N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide

N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79286156) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
PubChem CID79286156
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C15H18F2N2O/c1-2-7-18-9-15(20)19(13-5-6-13)10-11-3-4-12(16)8-14(11)17/h2-4,8,13,18H,1,5-7,9-10H2
InChIKeyNJUXVGSJIDZUES-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285198
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 60938567
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide
CID 62838323
N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 79285110
1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115448025
1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone
CID 116589743
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
3-chloro-N-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 112816237
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915296

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide (CID 79286156) is N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is NJUXVGSJIDZUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-2-7-18-9-15(20)19(13-5-6-13)10-11-3-4-12(16)8-14(11)17/h2-4,8,13,18H,1,5-7,9-10H2.
What are the key properties of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide?
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 280.32 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79286156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).