4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide

C12H13BrFNO2 — CID 172609997

IUPAC4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC1(F)CC1
InChIInChI=1S/C12H13BrFNO2/c1-17-10-6-8(13)2-3-9(10)11(16)15-7-12(14)4-5-12/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyURTMDOVDKLGJDY-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.69
Rot. Bonds4

About 4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide

4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide (PubChem CID 172609997) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is 4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide
PubChem CID172609997
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC Name4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC1(F)CC1
InChIInChI=1S/C12H13BrFNO2/c1-17-10-6-8(13)2-3-9(10)11(16)15-7-12(14)4-5-12/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyURTMDOVDKLGJDY-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81361676
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890726
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 78987486
2-[2-[(4-bromo-2-methoxybenzoyl)amino]ethoxy]acetic acid
CID 113295972
[5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid
CID 172609993
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide
CID 78987502
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-2-methoxybenzamide
CID 113268416
4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726237

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide (CID 172609997) is 4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NCC1(F)CC1.
What is the InChIKey of 4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide?
The InChIKey is URTMDOVDKLGJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c1-17-10-6-8(13)2-3-9(10)11(16)15-7-12(14)4-5-12/h2-3,6H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide?
4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide has a molecular weight of 302.14 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 172609997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).