N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide

C16H22BrClN2O — CID 81294148

IUPACN-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCCCC1CN
InChIInChI=1S/C16H22BrClN2O/c1-2-20(15-6-4-3-5-12(15)10-19)16(21)11-7-8-13(17)14(18)9-11/h7-9,12,15H,2-6,10,19H2,1H3
InChIKeyLHEYDEDKLGVHFU-UHFFFAOYSA-N
MW373.72 g/mol
LogP4.08
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide

N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide (PubChem CID 81294148) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide
PubChem CID81294148
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCCCC1CN
InChIInChI=1S/C16H22BrClN2O/c1-2-20(15-6-4-3-5-12(15)10-19)16(21)11-7-8-13(17)14(18)9-11/h7-9,12,15H,2-6,10,19H2,1H3
InChIKeyLHEYDEDKLGVHFU-UHFFFAOYSA-N
XLogP4.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
CID 81295179
N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide
CID 115999669
4-[(4-bromo-3-chlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 81290208
4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 80999167
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880142
methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
CID 80998116
N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide
CID 107098226
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide
CID 103120889
3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
CID 103841594
4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide
CID 82789401
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-3-chloro-N-cyclopropylbenzamide
CID 81294852
4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 81308136

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide (CID 81294148) is N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide is CCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide?
The InChIKey is LHEYDEDKLGVHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O/c1-2-20(15-6-4-3-5-12(15)10-19)16(21)11-7-8-13(17)14(18)9-11/h7-9,12,15H,2-6,10,19H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide?
N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide has a molecular weight of 373.72 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide is sourced from PubChem (CID 81294148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).