4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide

C15H19BrN2O3 — CID 104927312

IUPAC4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H19BrN2O3/c16-11-7-5-10(6-8-11)15(21)17-9-14(20)18-12-3-1-2-4-13(12)19/h5-8,12-13,19H,1-4,9H2,(H,17,21)(H,18,20)/t12-,13-/m1/s1
InChIKeyXBJHOQRBNMJXIY-CHWSQXEVSA-N
MW355.23 g/mol
LogP1.60
Rot. Bonds4

About 4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide

4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide (PubChem CID 104927312) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide
PubChem CID104927312
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H19BrN2O3/c16-11-7-5-10(6-8-11)15(21)17-9-14(20)18-12-3-1-2-4-13(12)19/h5-8,12-13,19H,1-4,9H2,(H,17,21)(H,18,20)/t12-,13-/m1/s1
InChIKeyXBJHOQRBNMJXIY-CHWSQXEVSA-N
XLogP1.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide
CID 86796998
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide
CID 94414749
N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide
CID 110158776
[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643140
2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146041857
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 55317696
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide (CID 104927312) is 4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide?
The InChIKey is XBJHOQRBNMJXIY-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c16-11-7-5-10(6-8-11)15(21)17-9-14(20)18-12-3-1-2-4-13(12)19/h5-8,12-13,19H,1-4,9H2,(H,17,21)(H,18,20)/t12-,13-/m1/s1.
What are the key properties of 4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide has a molecular weight of 355.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 104927312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).