4-bromo-N-(3-ethylpentan-2-yl)benzamide

C14H20BrNO — CID 55260581

IUPAC4-bromo-N-(3-ethylpentan-2-yl)benzamide
SMILESCCC(CC)C(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-4-11(5-2)10(3)16-14(17)12-6-8-13(15)9-7-12/h6-11H,4-5H2,1-3H3,(H,16,17)
InChIKeyCKCOHGMAJDTPIV-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.00
Rot. Bonds5

About 4-bromo-N-(3-ethylpentan-2-yl)benzamide

4-bromo-N-(3-ethylpentan-2-yl)benzamide (PubChem CID 55260581) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-bromo-N-(3-ethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethylpentan-2-yl)benzamide
PubChem CID55260581
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-bromo-N-(3-ethylpentan-2-yl)benzamide
SMILESCCC(CC)C(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-4-11(5-2)10(3)16-14(17)12-6-8-13(15)9-7-12/h6-11H,4-5H2,1-3H3,(H,16,17)
InChIKeyCKCOHGMAJDTPIV-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 115354010
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
N-(3-ethylpentan-2-yl)-4-(methylamino)benzamide
CID 63838621
4-bromo-N-(3-chlorobutan-2-yl)benzamide
CID 131162953
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168864
3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide
CID 63837987
4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
ethyl 2-[(4-bromobenzoyl)amino]propanoate
CID 19166830
4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 115662215
4-bromo-N-heptan-2-ylbenzamide
CID 3735409

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethylpentan-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(3-ethylpentan-2-yl)benzamide (CID 55260581) is 4-bromo-N-(3-ethylpentan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-ethylpentan-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(3-ethylpentan-2-yl)benzamide is CCC(CC)C(C)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-ethylpentan-2-yl)benzamide?
The InChIKey is CKCOHGMAJDTPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-4-11(5-2)10(3)16-14(17)12-6-8-13(15)9-7-12/h6-11H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 4-bromo-N-(3-ethylpentan-2-yl)benzamide?
4-bromo-N-(3-ethylpentan-2-yl)benzamide has a molecular weight of 298.22 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethylpentan-2-yl)benzamide is sourced from PubChem (CID 55260581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).