N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide

C16H22BrClN2O — CID 107990599

IUPACN-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Cl)c(Br)c1)C1CCC(N)CC1
InChIInChI=1S/C16H22BrClN2O/c1-2-9-20(13-6-4-12(19)5-7-13)16(21)11-3-8-15(18)14(17)10-11/h3,8,10,12-13H,2,4-7,9,19H2,1H3
InChIKeyHCYONMVDEAFADY-UHFFFAOYSA-N
MW373.72 g/mol
LogP4.22
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide

N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide (PubChem CID 107990599) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
PubChem CID107990599
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC NameN-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Cl)c(Br)c1)C1CCC(N)CC1
InChIInChI=1S/C16H22BrClN2O/c1-2-9-20(13-6-4-12(19)5-7-13)16(21)11-3-8-15(18)14(17)10-11/h3,8,10,12-13H,2,4-7,9,19H2,1H3
InChIKeyHCYONMVDEAFADY-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
CID 103841594
3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide
CID 107993678
3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
CID 43270676
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
CID 79112080
4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 81290681
N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide
CID 79111791
N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide
CID 81265864
3-bromo-4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)benzamide
CID 107999423
3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 65386602
N-(azetidin-3-yl)-3-bromo-4-fluoro-N-propylbenzamide
CID 107956199
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-3-chloro-N-cyclopropylbenzamide
CID 81294852

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide (CID 107990599) is N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide is CCCN(C(=O)c1ccc(Cl)c(Br)c1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide?
The InChIKey is HCYONMVDEAFADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O/c1-2-9-20(13-6-4-12(19)5-7-13)16(21)11-3-8-15(18)14(17)10-11/h3,8,10,12-13H,2,4-7,9,19H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide?
N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide has a molecular weight of 373.72 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide is sourced from PubChem (CID 107990599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).