N-[(4-bromocyclohexyl)methyl]benzamide

C14H18BrNO — CID 106134088

IUPACN-[(4-bromocyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(Br)CC1)c1ccccc1
InChIInChI=1S/C14H18BrNO/c15-13-8-6-11(7-9-13)10-16-14(17)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,17)
InChIKeyISLSSJMJTUNDNM-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.37
Rot. Bonds3

About N-[(4-bromocyclohexyl)methyl]benzamide

N-[(4-bromocyclohexyl)methyl]benzamide (PubChem CID 106134088) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]benzamide
PubChem CID106134088
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-[(4-bromocyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(Br)CC1)c1ccccc1
InChIInChI=1S/C14H18BrNO/c15-13-8-6-11(7-9-13)10-16-14(17)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,17)
InChIKeyISLSSJMJTUNDNM-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528
N-[(4-bromocyclohexyl)methyl]-2-phenylacetamide
CID 106134234
N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide
CID 114148036
N-[(4-bromocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106134799
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
3,5-dibromo-N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134583
N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]benzamide
CID 58874409
1-benzamido-3-(cyclobutylmethyl)urea
CID 47254058
N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106134580
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
CID 114148085

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]benzamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]benzamide (CID 106134088) is N-[(4-bromocyclohexyl)methyl]benzamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]benzamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]benzamide is O=C(NCC1CCC(Br)CC1)c1ccccc1.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]benzamide?
The InChIKey is ISLSSJMJTUNDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-13-8-6-11(7-9-13)10-16-14(17)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,17).
What are the key properties of N-[(4-bromocyclohexyl)methyl]benzamide?
N-[(4-bromocyclohexyl)methyl]benzamide has a molecular weight of 296.21 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromocyclohexyl)methyl]benzamide is sourced from PubChem (CID 106134088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).