2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide

C15H20BrNO2 — CID 111445871

IUPAC2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(Cc1ccccc1Br)NCC1(O)CCCCC1
InChIInChI=1S/C15H20BrNO2/c16-13-7-3-2-6-12(13)10-14(18)17-11-15(19)8-4-1-5-9-15/h2-3,6-7,19H,1,4-5,8-11H2,(H,17,18)
InChIKeyPZQFXMVNOCRMJO-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.80
Rot. Bonds4

About 2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide

2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 111445871) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID111445871
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(Cc1ccccc1Br)NCC1(O)CCCCC1
InChIInChI=1S/C15H20BrNO2/c16-13-7-3-2-6-12(13)10-14(18)17-11-15(19)8-4-1-5-9-15/h2-3,6-7,19H,1,4-5,8-11H2,(H,17,18)
InChIKeyPZQFXMVNOCRMJO-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931838
N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide
CID 111331235
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
CID 103969602
N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148227
1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103751
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 111445871) is 2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide is O=C(Cc1ccccc1Br)NCC1(O)CCCCC1.
What is the InChIKey of 2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is PZQFXMVNOCRMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-13-7-3-2-6-12(13)10-14(18)17-11-15(19)8-4-1-5-9-15/h2-3,6-7,19H,1,4-5,8-11H2,(H,17,18).
What are the key properties of 2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 326.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 111445871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).