N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide

C12H13BrF2N2O — CID 107611744

IUPACN-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C12H13BrF2N2O/c13-8-3-10(15)11(4-9(8)14)17-12(18)6-16-5-7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyDKNZPIVAVGEMIB-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.67
Rot. Bonds5

About N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide

N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide (PubChem CID 107611744) has the molecular formula C12H13BrF2N2O and a molecular weight of 319.15 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide
PubChem CID107611744
Molecular FormulaC12H13BrF2N2O
Molecular Weight319.15 g/mol
Exact Mass318.02
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C12H13BrF2N2O/c13-8-3-10(15)11(4-9(8)14)17-12(18)6-16-5-7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyDKNZPIVAVGEMIB-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
2-[[2-(cyclopropylmethylamino)acetyl]amino]-4,5-difluorobenzoic acid
CID 62866271
2-bromo-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107610790
N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide
CID 102853789
N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide
CID 114259911
2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide
CID 102853698
4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
CID 107611740
4-bromo-N-(cyclopentylmethyl)-2,5-difluoroaniline
CID 107609807
2-(cyclohexylmethylamino)-N-(2-fluorophenyl)acetamide
CID 43215446
N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 107611652
N-(4-bromo-2,5-difluorophenyl)-2-(2,4-difluorophenyl)acetamide
CID 103842501
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide (CID 107611744) is N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide?
The InChIKey is DKNZPIVAVGEMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2O/c13-8-3-10(15)11(4-9(8)14)17-12(18)6-16-5-7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,17,18).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide?
N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide has a molecular weight of 319.15 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 107611744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).