6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide

C16H17BrN2O2 — CID 115283084

IUPAC6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H17BrN2O2/c1-3-18-15(20)10(2)19-16(21)13-5-4-12-9-14(17)7-6-11(12)8-13/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyALQFFPFHPWEUCK-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.86
Rot. Bonds4

About 6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide

6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide (PubChem CID 115283084) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
PubChem CID115283084
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H17BrN2O2/c1-3-18-15(20)10(2)19-16(21)13-5-4-12-9-14(17)7-6-11(12)8-13/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyALQFFPFHPWEUCK-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide
CID 115353882
3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 103907452
6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide
CID 115354010
(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid
CID 115353671
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 60709622
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
3-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51196385
3-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992878
N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614761
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide (CID 115283084) is 6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide is CCNC(=O)C(C)NC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide?
The InChIKey is ALQFFPFHPWEUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-18-15(20)10(2)19-16(21)13-5-4-12-9-14(17)7-6-11(12)8-13/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide?
6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 115283084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).