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

C12H12BrF2NO — CID 63679516

IUPAC2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
SMILESO=C(CBr)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C12H12BrF2NO/c13-6-12(17)16(10-3-4-10)7-8-1-2-9(14)5-11(8)15/h1-2,5,10H,3-4,6-7H2
InChIKeyAGJRTQGYZHZPTL-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.85
Rot. Bonds4

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

2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide (PubChem CID 63679516) has the molecular formula C12H12BrF2NO and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
PubChem CID63679516
Molecular FormulaC12H12BrF2NO
Molecular Weight304.13 g/mol
Exact Mass303.01
IUPAC Name2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
SMILESO=C(CBr)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C12H12BrF2NO/c13-6-12(17)16(10-3-4-10)7-8-1-2-9(14)5-11(8)15/h1-2,5,10H,3-4,6-7H2
InChIKeyAGJRTQGYZHZPTL-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79286156
2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 60938567
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-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide
CID 55761445
2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 55045230
1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115448025
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 112816231
(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide
CID 104913311
(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 103795055

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide (CID 63679516) is 2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide is O=C(CBr)N(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide?
The InChIKey is AGJRTQGYZHZPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2NO/c13-6-12(17)16(10-3-4-10)7-8-1-2-9(14)5-11(8)15/h1-2,5,10H,3-4,6-7H2.
What are the key properties of 2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide?
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide has a molecular weight of 304.13 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 63679516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).