5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide

C13H15BrClNO2 — CID 103280349

IUPAC5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)C1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H15BrClNO2/c14-9-2-4-12(15)11(6-9)13(18)16-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7H2,(H,16,18)
InChIKeyRPBCMVZPSITHQQ-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.99
Rot. Bonds3

About 5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide

5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide (PubChem CID 103280349) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
PubChem CID103280349
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)C1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H15BrClNO2/c14-9-2-4-12(15)11(6-9)13(18)16-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7H2,(H,16,18)
InChIKeyRPBCMVZPSITHQQ-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103690984
4-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279853
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006638
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
5-bromo-2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156896
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide
CID 103280040

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide (CID 103280349) is 5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide is O=C(NCC1CCC(O)C1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is RPBCMVZPSITHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-9-2-4-12(15)11(6-9)13(18)16-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7H2,(H,16,18).
What are the key properties of 5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide has a molecular weight of 332.63 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 103280349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).