4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide

C16H23BrN2O — CID 81392320

IUPAC4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(N)c(Br)c1)C1CCCCCC1
InChIInChI=1S/C16H23BrN2O/c1-11(12-6-4-2-3-5-7-12)19-16(20)13-8-9-15(18)14(17)10-13/h8-12H,2-7,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyKYVYGTZULRLBQU-LLVKDONJSA-N
MW339.28 g/mol
LogP4.12
Rot. Bonds3

About 4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide

4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide (PubChem CID 81392320) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
PubChem CID81392320
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(N)c(Br)c1)C1CCCCCC1
InChIInChI=1S/C16H23BrN2O/c1-11(12-6-4-2-3-5-7-12)19-16(20)13-8-9-15(18)14(17)10-13/h8-12H,2-7,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyKYVYGTZULRLBQU-LLVKDONJSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide
CID 62407763
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
4-bromo-N-(1-cyclohexylethyl)-3-nitrobenzamide
CID 62407561
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide
CID 81388369

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide?
The IUPAC name of 4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide (CID 81392320) is 4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide?
The canonical SMILES for 4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide is C[C@@H](NC(=O)c1ccc(N)c(Br)c1)C1CCCCCC1.
What is the InChIKey of 4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide?
The InChIKey is KYVYGTZULRLBQU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11(12-6-4-2-3-5-7-12)19-16(20)13-8-9-15(18)14(17)10-13/h8-12H,2-7,18H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide?
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide has a molecular weight of 339.28 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide is sourced from PubChem (CID 81392320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).