N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide

C15H19Br2NO — CID 112752975

IUPACN-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NC1CCC(CBr)CC1
InChIInChI=1S/C15H19Br2NO/c16-10-12-3-7-14(8-4-12)18-15(19)9-11-1-5-13(17)6-2-11/h1-2,5-6,12,14H,3-4,7-10H2,(H,18,19)
InChIKeyHODMFEOHRGYMOE-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.06
Rot. Bonds4

About N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide

N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide (PubChem CID 112752975) has the molecular formula C15H19Br2NO and a molecular weight of 389.13 g/mol. Its IUPAC name is N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide
PubChem CID112752975
Molecular FormulaC15H19Br2NO
Molecular Weight389.13 g/mol
Exact Mass386.98
IUPAC NameN-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NC1CCC(CBr)CC1
InChIInChI=1S/C15H19Br2NO/c16-10-12-3-7-14(8-4-12)18-15(19)9-11-1-5-13(17)6-2-11/h1-2,5-6,12,14H,3-4,7-10H2,(H,18,19)
InChIKeyHODMFEOHRGYMOE-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.06
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

2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide
CID 112752998
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide
CID 9208935
2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
CID 94795684
2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide
CID 94414749
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
CID 175666639
N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide
CID 112752910
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
CID 154997701
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide
CID 93452631

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide?
The IUPAC name of N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide (CID 112752975) is N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide is O=C(Cc1ccc(Br)cc1)NC1CCC(CBr)CC1.
What is the InChIKey of N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide?
The InChIKey is HODMFEOHRGYMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO/c16-10-12-3-7-14(8-4-12)18-15(19)9-11-1-5-13(17)6-2-11/h1-2,5-6,12,14H,3-4,7-10H2,(H,18,19).
What are the key properties of N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide?
N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide has a molecular weight of 389.13 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 112752975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).