3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide

C11H10BrNO2 — CID 130699539

IUPAC3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide
SMILESCOCc1ccc(NC(=O)C#CBr)cc1
InChIInChI=1S/C11H10BrNO2/c1-15-8-9-2-4-10(5-3-9)13-11(14)6-7-12/h2-5H,8H2,1H3,(H,13,14)
InChIKeyAPNSMFJZESOJKK-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.13
Rot. Bonds3

About 3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide

3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide (PubChem CID 130699539) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide.

Molecular Properties

Compound Name3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide
PubChem CID130699539
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide
SMILESCOCc1ccc(NC(=O)C#CBr)cc1
InChIInChI=1S/C11H10BrNO2/c1-15-8-9-2-4-10(5-3-9)13-11(14)6-7-12/h2-5H,8H2,1H3,(H,13,14)
InChIKeyAPNSMFJZESOJKK-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988
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4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
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N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 124854866
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CID 38196484
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(methoxymethyl)benzamide
CID 41266000
methyl (Z)-4-[4-(methoxymethyl)anilino]-2-methylbut-2-enoate
CID 114253179
2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide
CID 114253205
1-amino-3-[4-(methoxymethyl)phenyl]thiourea
CID 130496417
[2-(4-bromoanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
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CID 114253141

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide?
The IUPAC name of 3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide (CID 130699539) is 3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide.
What is the SMILES notation for 3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide?
The canonical SMILES for 3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide is COCc1ccc(NC(=O)C#CBr)cc1.
What is the InChIKey of 3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide?
The InChIKey is APNSMFJZESOJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-15-8-9-2-4-10(5-3-9)13-11(14)6-7-12/h2-5H,8H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide?
3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide has a molecular weight of 268.11 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(methoxymethyl)phenyl]prop-2-ynamide is sourced from PubChem (CID 130699539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).